# 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 = Ag2AlPd # 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 2.133479847e+02 2.133479847e+02 1.30 1.978438729e+02 1.978438729e+02 1.32 1.834734340e+02 1.834734340e+02 1.34 1.701483795e+02 1.701483795e+02 1.36 1.577865190e+02 1.577865190e+02 1.38 1.463109668e+02 1.463109668e+02 1.40 1.356505633e+02 1.356505633e+02 1.42 1.257407048e+02 1.257407048e+02 1.44 1.165237467e+02 1.165237467e+02 1.46 1.079484808e+02 1.079484808e+02 1.48 9.996884558e+01 9.996884558e+01 1.50 9.254254995e+01 9.254254995e+01 1.52 8.563012402e+01 8.563012402e+01 1.54 7.919443430e+01 7.919443430e+01 1.56 7.320050302e+01 7.320050302e+01 1.58 6.761550730e+01 6.761550730e+01 1.60 6.240886647e+01 6.240886647e+01 1.62 5.755288764e+01 5.755288764e+01 1.64 5.303623865e+01 5.303623865e+01 1.66 4.884095373e+01 4.884095373e+01 1.68 4.494507649e+01 4.494507649e+01 1.70 4.132697867e+01 4.132697867e+01 1.72 3.796659363e+01 3.796659363e+01 1.74 3.484525648e+01 3.484525648e+01 1.76 3.194554774e+01 3.194554774e+01 1.78 2.925124732e+01 2.925124732e+01 1.80 2.674736998e+01 2.674736998e+01 1.82 2.442021120e+01 2.442021120e+01 1.84 2.225733188e+01 2.225733188e+01 1.86 2.024746009e+01 2.024746009e+01 1.88 1.838033950e+01 1.838033950e+01 1.90 1.664656480e+01 1.664656480e+01 1.92 1.503742381e+01 1.503742381e+01 1.94 1.354475322e+01 1.354475322e+01 1.96 1.216082151e+01 1.216082151e+01 1.98 1.087826201e+01 1.087826201e+01 2.00 9.690067184e+00 9.690067184e+00 2.02 8.589626170e+00 8.589626170e+00 2.04 7.570765608e+00 7.570765608e+00 2.06 6.627759578e+00 6.627759578e+00 2.08 5.755301374e+00 5.755301374e+00 2.10 4.948454321e+00 4.948454321e+00 2.12 4.202604842e+00 4.202604842e+00 2.14 3.513431528e+00 3.513431528e+00 2.16 2.876892453e+00 2.876892453e+00 2.18 2.289226237e+00 2.289226237e+00 2.20 1.746959751e+00 1.746959751e+00 2.22 1.246914273e+00 1.246914273e+00 2.24 7.862031647e-01 7.862031647e-01 2.26 3.622177907e-01 3.622177907e-01 2.28 -2.739696004e-02 -2.739696004e-02 2.30 -3.847735624e-01 -3.847735624e-01 2.32 -7.118553216e-01 -7.118553216e-01 2.34 -1.010429638e+00 -1.010429638e+00 2.36 -1.282159728e+00 -1.282159728e+00 2.38 -1.528613753e+00 -1.528613753e+00 2.40 -1.751290847e+00 -1.751290847e+00 2.42 -1.951643845e+00 -1.951643845e+00 2.44 -2.131098427e+00 -2.131098427e+00 2.46 -2.291067605e+00 -2.291067605e+00 2.48 -2.432959217e+00 -2.432959217e+00 2.50 -2.558174285e+00 -2.558174285e+00 2.52 -2.668096642e+00 -2.668096642e+00 2.54 -2.764078021e+00 -2.764078021e+00 2.56 -2.847424473e+00 -2.847424473e+00 2.58 -2.919387070e+00 -2.919387070e+00 2.60 -2.981328533e+00 -2.981328533e+00 2.62 -3.034553620e+00 -3.034553620e+00 2.64 -3.080486745e+00 -3.080486745e+00 2.66 -3.120028565e+00 -3.120028565e+00 2.68 -3.153514675e+00 -3.153514675e+00 2.70 -3.181226732e+00 -3.181226732e+00 2.72 -3.203387263e+00 -3.203387263e+00 2.74 -3.220168232e+00 -3.220168232e+00 2.76 -3.231709888e+00 -3.231709888e+00 2.78 -3.238163514e+00 -3.238163514e+00 2.80 -3.239727428e+00 -3.239727428e+00 2.82 -3.236738523e+00 -3.236738523e+00 2.84 -3.229272297e+00 -3.229272297e+00 2.86 -3.217401813e+00 -3.217401813e+00 2.88 -3.201248939e+00 -3.201248939e+00 2.90 -3.180978789e+00 -3.180978789e+00 2.92 -3.156793907e+00 -3.156793907e+00 2.94 -3.128928514e+00 -3.128928514e+00 2.96 -3.097643504e+00 -3.097643504e+00 2.98 -3.063223256e+00 -3.063223256e+00 3.00 -3.025980347e+00 -3.025980347e+00 3.02 -2.986254024e+00 -2.986254024e+00 3.04 -2.944399683e+00 -2.944399683e+00 3.06 -2.900783132e+00 -2.900783132e+00 3.08 -2.855770354e+00 -2.855770354e+00 3.10 -2.809713123e+00 -2.809713123e+00 3.12 -2.762932982e+00 -2.762932982e+00 3.14 -2.715707252e+00 -2.715707252e+00 3.16 -2.668260103e+00 -2.668260103e+00 3.18 -2.620760328e+00 -2.620760328e+00 3.20 -2.573325295e+00 -2.573325295e+00 3.22 -2.526029351e+00 -2.526029351e+00 3.24 -2.478914349e+00 -2.478914349e+00 3.26 -2.432000307e+00 -2.432000307e+00 3.28 -2.385294807e+00 -2.385294807e+00 3.30 -2.338800492e+00 -2.338800492e+00 3.32 -2.292520498e+00 -2.292520498e+00 3.34 -2.246462020e+00 -2.246462020e+00 3.36 -2.200638304e+00 -2.200638304e+00 3.38 -2.155069411e+00 -2.155069411e+00 3.40 -2.109782045e+00 -2.109782045e+00 3.42 -2.064808736e+00 -2.064808736e+00 3.44 -2.020186569e+00 -2.020186569e+00 3.46 -1.975955686e+00 -1.975955686e+00 3.48 -1.932157687e+00 -1.932157687e+00 3.50 -1.888834060e+00 -1.888834060e+00 3.52 -1.846024728e+00 -1.846024728e+00 3.54 -1.803766772e+00 -1.803766772e+00 3.56 -1.762093358e+00 -1.762093358e+00 3.58 -1.721032883e+00 -1.721032883e+00 3.60 -1.680608340e+00 -1.680608340e+00 3.62 -1.640836885e+00 -1.640836885e+00 3.64 -1.601729602e+00 -1.601729602e+00 3.66 -1.563291453e+00 -1.563291453e+00 3.68 -1.525521401e+00 -1.525521401e+00 3.70 -1.488412703e+00 -1.488412703e+00 3.72 -1.451953371e+00 -1.451953371e+00 3.74 -1.416126778e+00 -1.416126778e+00 3.76 -1.380912406e+00 -1.380912406e+00 3.78 -1.346286701e+00 -1.346286701e+00 3.80 -1.312223993e+00 -1.312223993e+00 3.82 -1.278697450e+00 -1.278697450e+00 3.84 -1.245680005e+00 -1.245680005e+00 3.86 -1.213145215e+00 -1.213145215e+00 3.88 -1.181068009e+00 -1.181068009e+00 3.90 -1.149425320e+00 -1.149425320e+00 3.92 -1.118196564e+00 -1.118196564e+00 3.94 -1.087364021e+00 -1.087364021e+00 3.96 -1.056913070e+00 -1.056913070e+00 3.98 -1.026832388e+00 -1.026832388e+00 4.00 -9.971140690e-01 -9.971140690e-01 4.02 -9.677537145e-01 -9.677537145e-01 4.04 -9.387504763e-01 -9.387504763e-01 4.06 -9.101070540e-01 -9.101070540e-01 4.08 -8.818296253e-01 -8.818296253e-01 4.10 -8.539276910e-01 -8.539276910e-01 4.12 -8.264139055e-01 -8.264139055e-01 4.14 -7.993037468e-01 -7.993037468e-01 4.16 -7.726153072e-01 -7.726153072e-01 4.18 -7.463690672e-01 -7.463690672e-01 4.20 -7.205877567e-01 -7.205877567e-01 4.22 -6.952962767e-01 -6.952962767e-01 4.24 -6.705216146e-01 -6.705216146e-01 4.26 -6.462926355e-01 -6.462926355e-01 4.28 -6.226396150e-01 -6.226396150e-01 4.30 -5.995933929e-01 -5.995933929e-01 4.32 -5.771840948e-01 -5.771840948e-01 4.34 -5.554394635e-01 -5.554394635e-01 4.36 -5.343829398e-01 -5.343829398e-01 4.38 -5.140317187e-01 -5.140317187e-01 4.40 -4.943950330e-01 -4.943950330e-01 4.42 -4.754729012e-01 -4.754729012e-01 4.44 -4.572555030e-01 -4.572555030e-01 4.46 -4.397232476e-01 -4.397232476e-01 4.48 -4.228475006e-01 -4.228475006e-01 4.50 -4.065918523e-01 -4.065918523e-01 4.52 -3.909137623e-01 -3.909137623e-01 4.54 -3.757664028e-01 -3.757664028e-01 4.56 -3.611005398e-01 -3.611005398e-01 4.58 -3.468663242e-01 -3.468663242e-01 4.60 -3.330149056e-01 -3.330149056e-01 4.62 -3.194998190e-01 -3.194998190e-01 4.64 -3.062781229e-01 -3.062781229e-01 4.66 -2.933112882e-01 -2.933112882e-01 4.68 -2.805658496e-01 -2.805658496e-01 4.70 -2.680138386e-01 -2.680138386e-01 4.72 -2.556330221e-01 -2.556330221e-01 4.74 -2.434069789e-01 -2.434069789e-01 4.76 -2.313250481e-01 -2.313250481e-01 4.78 -2.193821917e-01 -2.193821917e-01 4.80 -2.075788057e-01 -2.075788057e-01 4.82 -1.959205557e-01 -1.959205557e-01 4.84 -1.844181521e-01 -1.844181521e-01 4.86 -1.730872075e-01 -1.730872075e-01 4.88 -1.619480378e-01 -1.619480378e-01 4.90 -1.510253981e-01 -1.510253981e-01 4.92 -1.403480801e-01 -1.403480801e-01 4.94 -1.299483003e-01 -1.299483003e-01 4.96 -1.198608299e-01 -1.198608299e-01 4.98 -1.101218501e-01 -1.101218501e-01 5.00 -1.007675617e-01 -1.007675617e-01 5.02 -9.183262955e-02 -9.183262955e-02 5.04 -8.334857479e-02 -8.334857479e-02 5.06 -7.534225755e-02 -7.534225755e-02 5.08 -6.783458708e-02 -6.783458708e-02 5.10 -6.083957287e-02 -6.083957287e-02 5.12 -5.436379406e-02 -5.436379406e-02 5.14 -4.840631070e-02 -4.840631070e-02 5.16 -4.295899212e-02 -4.295899212e-02 5.18 -3.800719944e-02 -3.800719944e-02 5.20 -3.353060453e-02 -3.353060453e-02 5.22 -2.950432290e-02 -2.950432290e-02 5.24 -2.590059226e-02 -2.590059226e-02 5.26 -2.268941446e-02 -2.268941446e-02 5.28 -1.983943767e-02 -1.983943767e-02 5.30 -1.731887328e-02 -1.731887328e-02 5.32 -1.509712320e-02 -1.509712320e-02 5.34 -1.314458709e-02 -1.314458709e-02 5.36 -1.143310423e-02 -1.143310423e-02 5.38 -9.936297126e-03 -9.936297126e-03 5.40 -8.629776666e-03 -8.629776666e-03 5.42 -7.491236319e-03 -7.491236319e-03 5.44 -6.500460977e-03 -6.500460977e-03 5.46 -5.639273127e-03 -5.639273127e-03 5.48 -4.891435430e-03 -4.891435430e-03 5.50 -4.242525211e-03 -4.242525211e-03 5.52 -3.679793014e-03 -3.679793014e-03 5.54 -3.192014415e-03 -3.192014415e-03 5.56 -2.769341812e-03 -2.769341812e-03 5.58 -2.403160876e-03 -2.403160876e-03 5.60 -2.085954755e-03 -2.085954755e-03 5.62 -1.811177887e-03 -1.811177887e-03 5.64 -1.573140390e-03 -1.573140390e-03 5.66 -1.366903310e-03 -1.366903310e-03 5.68 -1.188184563e-03 -1.188184563e-03 5.70 -1.033275105e-03 -1.033275105e-03 5.72 -8.989646718e-04 -8.989646718e-04 5.74 -7.824763255e-04 -7.824763255e-04 5.76 -6.814090064e-04 -6.814090064e-04 5.78 -5.936872846e-04 -5.936872846e-04 5.80 -5.175175407e-04 -5.175175407e-04 5.82 -4.513498420e-04 -4.513498420e-04 5.84 -3.938448415e-04 -3.938448415e-04 5.86 -3.438450857e-04 -3.438450857e-04 5.88 -3.003501770e-04 -3.003501770e-04 5.90 -2.624952970e-04 -2.624952970e-04 5.92 -2.295326522e-04 -2.295326522e-04 5.94 -2.008154549e-04 -2.008154549e-04 5.96 -1.757841007e-04 -1.757841007e-04 5.98 -1.539542460e-04 -1.539542460e-04 6.00 -1.349065270e-04 -1.349065270e-04