# 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 = AlAuCo2 # 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 1.651014342e+02 1.651014342e+02 1.30 1.524964876e+02 1.524964876e+02 1.32 1.408402122e+02 1.408402122e+02 1.34 1.300560844e+02 1.300560844e+02 1.36 1.200736851e+02 1.200736851e+02 1.38 1.108283570e+02 1.108283570e+02 1.40 1.022613568e+02 1.022613568e+02 1.42 9.431972605e+01 9.431972605e+01 1.44 8.695566811e+01 8.695566811e+01 1.46 8.012566100e+01 8.012566100e+01 1.48 7.378953611e+01 7.378953611e+01 1.50 6.790984379e+01 6.790984379e+01 1.52 6.245173759e+01 6.245173759e+01 1.54 5.738310901e+01 5.738310901e+01 1.56 5.267456257e+01 5.267456257e+01 1.58 4.829916250e+01 4.829916250e+01 1.60 4.423210019e+01 4.423210019e+01 1.62 4.045040263e+01 4.045040263e+01 1.64 3.693349652e+01 3.693349652e+01 1.66 3.367219639e+01 3.367219639e+01 1.68 3.065151837e+01 3.065151837e+01 1.70 2.785419562e+01 2.785419562e+01 1.72 2.526426161e+01 2.526426161e+01 1.74 2.286601767e+01 2.286601767e+01 1.76 2.064520871e+01 2.064520871e+01 1.78 1.858882744e+01 1.858882744e+01 1.80 1.668497189e+01 1.668497189e+01 1.82 1.492276426e+01 1.492276426e+01 1.84 1.329228542e+01 1.329228542e+01 1.86 1.178450027e+01 1.178450027e+01 1.88 1.039116909e+01 1.039116909e+01 1.90 9.104737728e+00 9.104737728e+00 1.92 7.918199623e+00 7.918199623e+00 1.94 6.824939480e+00 6.824939480e+00 1.96 5.818588059e+00 5.818588059e+00 1.98 4.892930420e+00 4.892930420e+00 2.00 4.041904595e+00 4.041904595e+00 2.02 3.259693744e+00 3.259693744e+00 2.04 2.540860961e+00 2.540860961e+00 2.06 1.880449273e+00 1.880449273e+00 2.08 1.274000000e+00 1.274000000e+00 2.10 7.174988175e-01 7.174988175e-01 2.12 2.072914464e-01 2.072914464e-01 2.14 -2.599921632e-01 -2.599921632e-01 2.16 -6.874854100e-01 -6.874854100e-01 2.18 -1.078103285e+00 -1.078103285e+00 2.20 -1.434542202e+00 -1.434542202e+00 2.22 -1.759276361e+00 -1.759276361e+00 2.24 -2.054561423e+00 -2.054561423e+00 2.26 -2.322448153e+00 -2.322448153e+00 2.28 -2.564802515e+00 -2.564802515e+00 2.30 -2.783327068e+00 -2.783327068e+00 2.32 -2.979580196e+00 -2.979580196e+00 2.34 -3.154992044e+00 -3.154992044e+00 2.36 -3.310878305e+00 -3.310878305e+00 2.38 -3.448453739e+00 -3.448453739e+00 2.40 -3.568847334e+00 -3.568847334e+00 2.42 -3.673119951e+00 -3.673119951e+00 2.44 -3.762283784e+00 -3.762283784e+00 2.46 -3.837321636e+00 -3.837321636e+00 2.48 -3.899204624e+00 -3.899204624e+00 2.50 -3.948984834e+00 -3.948984834e+00 2.52 -3.987615137e+00 -3.987615137e+00 2.54 -4.015996681e+00 -4.015996681e+00 2.56 -4.035075974e+00 -4.035075974e+00 2.58 -4.045842341e+00 -4.045842341e+00 2.60 -4.049333551e+00 -4.049333551e+00 2.62 -4.046680678e+00 -4.046680678e+00 2.64 -4.039492981e+00 -4.039492981e+00 2.66 -4.028342659e+00 -4.028342659e+00 2.68 -4.013368772e+00 -4.013368772e+00 2.70 -3.994688565e+00 -3.994688565e+00 2.72 -3.972388989e+00 -3.972388989e+00 2.74 -3.946529275e+00 -3.946529275e+00 2.76 -3.917152532e+00 -3.917152532e+00 2.78 -3.884296839e+00 -3.884296839e+00 2.80 -3.848020275e+00 -3.848020275e+00 2.82 -3.808400108e+00 -3.808400108e+00 2.84 -3.765527094e+00 -3.765527094e+00 2.86 -3.719505669e+00 -3.719505669e+00 2.88 -3.670453443e+00 -3.670453443e+00 2.90 -3.618501687e+00 -3.618501687e+00 2.92 -3.563798017e+00 -3.563798017e+00 2.94 -3.506511856e+00 -3.506511856e+00 2.96 -3.446842355e+00 -3.446842355e+00 2.98 -3.385027330e+00 -3.385027330e+00 3.00 -3.321350599e+00 -3.321350599e+00 3.02 -3.256144354e+00 -3.256144354e+00 3.04 -3.189783441e+00 -3.189783441e+00 3.06 -3.122670201e+00 -3.122670201e+00 3.08 -3.055211257e+00 -3.055211257e+00 3.10 -2.987790771e+00 -2.987790771e+00 3.12 -2.920745942e+00 -2.920745942e+00 3.14 -2.854349981e+00 -2.854349981e+00 3.16 -2.788805113e+00 -2.788805113e+00 3.18 -2.724245367e+00 -2.724245367e+00 3.20 -2.660746440e+00 -2.660746440e+00 3.22 -2.598339206e+00 -2.598339206e+00 3.24 -2.537023724e+00 -2.537023724e+00 3.26 -2.476781622e+00 -2.476781622e+00 3.28 -2.417585785e+00 -2.417585785e+00 3.30 -2.359407182e+00 -2.359407182e+00 3.32 -2.302219172e+00 -2.302219172e+00 3.34 -2.245999837e+00 -2.245999837e+00 3.36 -2.190732940e+00 -2.190732940e+00 3.38 -2.136407983e+00 -2.136407983e+00 3.40 -2.083019727e+00 -2.083019727e+00 3.42 -2.030567413e+00 -2.030567413e+00 3.44 -1.979053794e+00 -1.979053794e+00 3.46 -1.928484106e+00 -1.928484106e+00 3.48 -1.878864990e+00 -1.878864990e+00 3.50 -1.830203434e+00 -1.830203434e+00 3.52 -1.782505755e+00 -1.782505755e+00 3.54 -1.735776674e+00 -1.735776674e+00 3.56 -1.690018533e+00 -1.690018533e+00 3.58 -1.645230681e+00 -1.645230681e+00 3.60 -1.601409055e+00 -1.601409055e+00 3.62 -1.558545997e+00 -1.558545997e+00 3.64 -1.516630284e+00 -1.516630284e+00 3.66 -1.475647385e+00 -1.475647385e+00 3.68 -1.435579893e+00 -1.435579893e+00 3.70 -1.396408099e+00 -1.396408099e+00 3.72 -1.358110643e+00 -1.358110643e+00 3.74 -1.320665163e+00 -1.320665163e+00 3.76 -1.284048880e+00 -1.284048880e+00 3.78 -1.248239057e+00 -1.248239057e+00 3.80 -1.213213306e+00 -1.213213306e+00 3.82 -1.178949717e+00 -1.178949717e+00 3.84 -1.145426834e+00 -1.145426834e+00 3.86 -1.112623508e+00 -1.112623508e+00 3.88 -1.080518670e+00 -1.080518670e+00 3.90 -1.049091069e+00 -1.049091069e+00 3.92 -1.018319007e+00 -1.018319007e+00 3.94 -9.881801360e-01 -9.881801360e-01 3.96 -9.586512784e-01 -9.586512784e-01 3.98 -9.297083717e-01 -9.297083717e-01 4.00 -9.013265036e-01 -9.013265036e-01 4.02 -8.734800816e-01 -8.734800816e-01 4.04 -8.461431620e-01 -8.461431620e-01 4.06 -8.192899631e-01 -8.192899631e-01 4.08 -7.928955916e-01 -7.928955916e-01 4.10 -7.669369840e-01 -7.669369840e-01 4.12 -7.413941209e-01 -7.413941209e-01 4.14 -7.162513314e-01 -7.162513314e-01 4.16 -6.914988187e-01 -6.914988187e-01 4.18 -6.671341257e-01 -6.671341257e-01 4.20 -6.431634366e-01 -6.431634366e-01 4.22 -6.196024857e-01 -6.196024857e-01 4.24 -5.964768484e-01 -5.964768484e-01 4.26 -5.738214083e-01 -5.738214083e-01 4.28 -5.516788745e-01 -5.516788745e-01 4.30 -5.300973488e-01 -5.300973488e-01 4.32 -5.091270975e-01 -5.091270975e-01 4.34 -4.888168373e-01 -4.888168373e-01 4.36 -4.692099519e-01 -4.692099519e-01 4.38 -4.503410858e-01 -4.503410858e-01 4.40 -4.322335026e-01 -4.322335026e-01 4.42 -4.148974641e-01 -4.148974641e-01 4.44 -3.983297142e-01 -3.983297142e-01 4.46 -3.825139883e-01 -3.825139883e-01 4.48 -3.674223437e-01 -3.674223437e-01 4.50 -3.530170401e-01 -3.530170401e-01 4.52 -3.392526930e-01 -3.392526930e-01 4.54 -3.260784582e-01 -3.260784582e-01 4.56 -3.134400683e-01 -3.134400683e-01 4.58 -3.012816144e-01 -3.012816144e-01 4.60 -2.895470263e-01 -2.895470263e-01 4.62 -2.781812604e-01 -2.781812604e-01 4.64 -2.671312343e-01 -2.671312343e-01 4.66 -2.563465701e-01 -2.563465701e-01 4.68 -2.457802141e-01 -2.457802141e-01 4.70 -2.353889983e-01 -2.353889983e-01 4.72 -2.251342003e-01 -2.251342003e-01 4.74 -2.149821409e-01 -2.149821409e-01 4.76 -2.049048435e-01 -2.049048435e-01 4.78 -1.948807511e-01 -1.948807511e-01 4.80 -1.848954708e-01 -1.848954708e-01 4.82 -1.749425261e-01 -1.749425261e-01 4.84 -1.650239442e-01 -1.650239442e-01 4.86 -1.551507053e-01 -1.551507053e-01 4.88 -1.453428456e-01 -1.453428456e-01 4.90 -1.356291477e-01 -1.356291477e-01 4.92 -1.260463251e-01 -1.260463251e-01 4.94 -1.166376690e-01 -1.166376690e-01 4.96 -1.074511822e-01 -1.074511822e-01 4.98 -9.853728931e-02 -9.853728931e-02 5.00 -8.994629591e-02 -8.994629591e-02 5.02 -8.172580544e-02 -8.172580544e-02 5.04 -7.391831285e-02 -7.391831285e-02 5.06 -6.655918812e-02 -6.655918812e-02 5.08 -5.967500862e-02 -5.967500862e-02 5.10 -5.328287293e-02 -5.328287293e-02 5.12 -4.739084669e-02 -4.739084669e-02 5.14 -4.199768495e-02 -4.199768495e-02 5.16 -3.709371961e-02 -3.709371961e-02 5.18 -3.266210707e-02 -3.266210707e-02 5.20 -2.868025658e-02 -2.868025658e-02 5.22 -2.512130579e-02 -2.512130579e-02 5.24 -2.195553376e-02 -2.195553376e-02 5.26 -1.915163940e-02 -1.915163940e-02 5.28 -1.667783465e-02 -1.667783465e-02 5.30 -1.450272783e-02 -1.450272783e-02 5.32 -1.259574819e-02 -1.259574819e-02 5.34 -1.092824418e-02 -1.092824418e-02 5.36 -9.473602158e-03 -9.473602158e-03 5.38 -8.207215182e-03 -8.207215182e-03 5.40 -7.106600717e-03 -7.106600717e-03 5.42 -6.151419914e-03 -6.151419914e-03 5.44 -5.323425531e-03 -5.323425531e-03 5.46 -4.606360918e-03 -4.606360918e-03 5.48 -3.985827988e-03 -3.985827988e-03 5.50 -3.449137991e-03 -3.449137991e-03 5.52 -2.985155376e-03 -2.985155376e-03 5.54 -2.584142110e-03 -2.584142110e-03 5.56 -2.237607508e-03 -2.237607508e-03 5.58 -1.938166792e-03 -1.938166792e-03 5.60 -1.679410293e-03 -1.679410293e-03 5.62 -1.455784167e-03 -1.455784167e-03 5.64 -1.262482830e-03 -1.262482830e-03 5.66 -1.095352829e-03 -1.095352829e-03 5.68 -9.508075533e-04 -9.508075533e-04 5.70 -8.257520230e-04 -8.257520230e-04 5.72 -7.175168828e-04 -7.175168828e-04 5.74 -6.238007159e-04 -6.238007159e-04 5.76 -5.426197959e-04 -5.426197959e-04 5.78 -4.722644405e-04 -4.722644405e-04 5.80 -4.112611873e-04 -4.112611873e-04 5.82 -3.583400764e-04 -3.583400764e-04 5.84 -3.124063932e-04 -3.124063932e-04 5.86 -2.725162959e-04 -2.725162959e-04 5.88 -2.378558120e-04 -2.378558120e-04 5.90 -2.077227538e-04 -2.077227538e-04 5.92 -1.815111564e-04 -1.815111564e-04 5.94 -1.586978910e-04 -1.586978910e-04 5.96 -1.388311541e-04 -1.388311541e-04 5.98 -1.215205706e-04 -1.215205706e-04 6.00 -1.064286857e-04 -1.064286857e-04