# 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 = Ag2AlZr # 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 2.479482050e+02 2.479482050e+02 1.30 2.305427048e+02 2.305427048e+02 1.32 2.143951606e+02 2.143951606e+02 1.34 1.994059747e+02 1.994059747e+02 1.36 1.854839480e+02 1.854839480e+02 1.38 1.725464081e+02 1.725464081e+02 1.40 1.605183160e+02 1.605183160e+02 1.42 1.493307235e+02 1.493307235e+02 1.44 1.389194028e+02 1.389194028e+02 1.46 1.292244339e+02 1.292244339e+02 1.48 1.201908705e+02 1.201908705e+02 1.50 1.117695789e+02 1.117695789e+02 1.52 1.039171484e+02 1.039171484e+02 1.54 9.659469211e+01 9.659469211e+01 1.56 8.976636654e+01 8.976636654e+01 1.58 8.339844787e+01 8.339844787e+01 1.60 7.745902872e+01 7.745902872e+01 1.62 7.191797364e+01 7.191797364e+01 1.64 6.674689159e+01 6.674689159e+01 1.66 6.191909332e+01 6.191909332e+01 1.68 5.740962164e+01 5.740962164e+01 1.70 5.319538611e+01 5.319538611e+01 1.72 4.925525119e+01 4.925525119e+01 1.74 4.557007480e+01 4.557007480e+01 1.76 4.212279629e+01 4.212279629e+01 1.78 3.889735844e+01 3.889735844e+01 1.80 3.587930132e+01 3.587930132e+01 1.82 3.305788709e+01 3.305788709e+01 1.84 3.042178900e+01 3.042178900e+01 1.86 2.795908214e+01 2.795908214e+01 1.88 2.565869782e+01 2.565869782e+01 1.90 2.351033912e+01 2.351033912e+01 1.92 2.150437746e+01 2.150437746e+01 1.94 1.963176956e+01 1.963176956e+01 1.96 1.788399200e+01 1.788399200e+01 1.98 1.625304282e+01 1.625304282e+01 2.00 1.473146996e+01 1.473146996e+01 2.02 1.331237228e+01 1.331237228e+01 2.04 1.198935489e+01 1.198935489e+01 2.06 1.075644397e+01 1.075644397e+01 2.08 9.607988757e+00 9.607988757e+00 2.10 8.538585396e+00 8.538585396e+00 2.12 7.543049889e+00 7.543049889e+00 2.14 6.616428681e+00 6.616428681e+00 2.16 5.754040612e+00 5.754040612e+00 2.18 4.951509665e+00 4.951509665e+00 2.20 4.204786815e+00 4.204786815e+00 2.22 3.510138918e+00 3.510138918e+00 2.24 2.864134067e+00 2.864134067e+00 2.26 2.263628217e+00 2.263628217e+00 2.28 1.705751486e+00 1.705751486e+00 2.30 1.187905694e+00 1.187905694e+00 2.32 7.077302097e-01 7.077302097e-01 2.34 2.630864646e-01 2.630864646e-01 2.36 -1.479927149e-01 -1.479927149e-01 2.38 -5.273414557e-01 -5.273414557e-01 2.40 -8.766990202e-01 -8.766990202e-01 2.42 -1.197746592e+00 -1.197746592e+00 2.44 -1.492129247e+00 -1.492129247e+00 2.46 -1.761476963e+00 -1.761476963e+00 2.48 -2.007409860e+00 -2.007409860e+00 2.50 -2.231554590e+00 -2.231554590e+00 2.52 -2.435537039e+00 -2.435537039e+00 2.54 -2.620822988e+00 -2.620822988e+00 2.56 -2.788828452e+00 -2.788828452e+00 2.58 -2.940919026e+00 -2.940919026e+00 2.60 -3.078399936e+00 -3.078399936e+00 2.62 -3.202502742e+00 -3.202502742e+00 2.64 -3.314376342e+00 -3.314376342e+00 2.66 -3.415032140e+00 -3.415032140e+00 2.68 -3.505240412e+00 -3.505240412e+00 2.70 -3.585643527e+00 -3.585643527e+00 2.72 -3.656808860e+00 -3.656808860e+00 2.74 -3.719238188e+00 -3.719238188e+00 2.76 -3.773381894e+00 -3.773381894e+00 2.78 -3.819651049e+00 -3.819651049e+00 2.80 -3.858435507e+00 -3.858435507e+00 2.82 -3.890098750e+00 -3.890098750e+00 2.84 -3.914990868e+00 -3.914990868e+00 2.86 -3.933535766e+00 -3.933535766e+00 2.88 -3.946654585e+00 -3.946654585e+00 2.90 -3.954563731e+00 -3.954563731e+00 2.92 -3.957351515e+00 -3.957351515e+00 2.94 -3.955143134e+00 -3.955143134e+00 2.96 -3.948098801e+00 -3.948098801e+00 2.98 -3.936413295e+00 -3.936413295e+00 3.00 -3.920316043e+00 -3.920316043e+00 3.02 -3.900070701e+00 -3.900070701e+00 3.04 -3.875977334e+00 -3.875977334e+00 3.06 -3.848379045e+00 -3.848379045e+00 3.08 -3.817627650e+00 -3.817627650e+00 3.10 -3.784077445e+00 -3.784077445e+00 3.12 -3.748070872e+00 -3.748070872e+00 3.14 -3.710061844e+00 -3.710061844e+00 3.16 -3.670316271e+00 -3.670316271e+00 3.18 -3.628968580e+00 -3.628968580e+00 3.20 -3.586142136e+00 -3.586142136e+00 3.22 -3.541949709e+00 -3.541949709e+00 3.24 -3.496496344e+00 -3.496496344e+00 3.26 -3.449883418e+00 -3.449883418e+00 3.28 -3.402212570e+00 -3.402212570e+00 3.30 -3.353588294e+00 -3.353588294e+00 3.32 -3.304118545e+00 -3.304118545e+00 3.34 -3.253917552e+00 -3.253917552e+00 3.36 -3.203102931e+00 -3.203102931e+00 3.38 -3.151785164e+00 -3.151785164e+00 3.40 -3.100063811e+00 -3.100063811e+00 3.42 -3.048031043e+00 -3.048031043e+00 3.44 -2.995765780e+00 -2.995765780e+00 3.46 -2.943340416e+00 -2.943340416e+00 3.48 -2.890821707e+00 -2.890821707e+00 3.50 -2.838272560e+00 -2.838272560e+00 3.52 -2.785753092e+00 -2.785753092e+00 3.54 -2.733320887e+00 -2.733320887e+00 3.56 -2.681030599e+00 -2.681030599e+00 3.58 -2.628933127e+00 -2.628933127e+00 3.60 -2.577074636e+00 -2.577074636e+00 3.62 -2.525495629e+00 -2.525495629e+00 3.64 -2.474230244e+00 -2.474230244e+00 3.66 -2.423305920e+00 -2.423305920e+00 3.68 -2.372743508e+00 -2.372743508e+00 3.70 -2.322557881e+00 -2.322557881e+00 3.72 -2.272759081e+00 -2.272759081e+00 3.74 -2.223353935e+00 -2.223353935e+00 3.76 -2.174348073e+00 -2.174348073e+00 3.78 -2.125748145e+00 -2.125748145e+00 3.80 -2.077563969e+00 -2.077563969e+00 3.82 -2.029810268e+00 -2.029810268e+00 3.84 -1.982507634e+00 -1.982507634e+00 3.86 -1.935682442e+00 -1.935682442e+00 3.88 -1.889365581e+00 -1.889365581e+00 3.90 -1.843590148e+00 -1.843590148e+00 3.92 -1.798387073e+00 -1.798387073e+00 3.94 -1.753787959e+00 -1.753787959e+00 3.96 -1.709813144e+00 -1.709813144e+00 3.98 -1.666476613e+00 -1.666476613e+00 4.00 -1.623783673e+00 -1.623783673e+00 4.02 -1.581731452e+00 -1.581731452e+00 4.04 -1.540310219e+00 -1.540310219e+00 4.06 -1.499505226e+00 -1.499505226e+00 4.08 -1.459298785e+00 -1.459298785e+00 4.10 -1.419668668e+00 -1.419668668e+00 4.12 -1.380605692e+00 -1.380605692e+00 4.14 -1.342091074e+00 -1.342091074e+00 4.16 -1.304115442e+00 -1.304115442e+00 4.18 -1.266675782e+00 -1.266675782e+00 4.20 -1.229776743e+00 -1.229776743e+00 4.22 -1.193431567e+00 -1.193431567e+00 4.24 -1.157662546e+00 -1.157662546e+00 4.26 -1.122500840e+00 -1.122500840e+00 4.28 -1.087985550e+00 -1.087985550e+00 4.30 -1.054162001e+00 -1.054162001e+00 4.32 -1.021079280e+00 -1.021079280e+00 4.34 -9.887872013e-01 -9.887872013e-01 4.36 -9.573329666e-01 -9.573329666e-01 4.38 -9.267578719e-01 -9.267578719e-01 4.40 -8.970944009e-01 -8.970944009e-01 4.42 -8.683640122e-01 -8.683640122e-01 4.44 -8.405758093e-01 -8.405758093e-01 4.46 -8.137261559e-01 -8.137261559e-01 4.48 -7.877991674e-01 -7.877991674e-01 4.50 -7.627679116e-01 -7.627679116e-01 4.52 -7.385960972e-01 -7.385960972e-01 4.54 -7.152400150e-01 -7.152400150e-01 4.56 -6.926505297e-01 -6.926505297e-01 4.58 -6.707749633e-01 -6.707749633e-01 4.60 -6.495587740e-01 -6.495587740e-01 4.62 -6.289469848e-01 -6.289469848e-01 4.64 -6.088853626e-01 -6.088853626e-01 4.66 -5.893213770e-01 -5.893213770e-01 4.68 -5.702049875e-01 -5.702049875e-01 4.70 -5.514893129e-01 -5.514893129e-01 4.72 -5.331312345e-01 -5.331312345e-01 4.74 -5.150919777e-01 -5.150919777e-01 4.76 -4.973376998e-01 -4.973376998e-01 4.78 -4.798400979e-01 -4.798400979e-01 4.80 -4.625738953e-01 -4.625738953e-01 4.82 -4.455305208e-01 -4.455305208e-01 4.84 -4.286981591e-01 -4.286981591e-01 4.86 -4.120765097e-01 -4.120765097e-01 4.88 -3.956732331e-01 -3.956732331e-01 4.90 -3.795038951e-01 -3.795038951e-01 4.92 -3.635915619e-01 -3.635915619e-01 4.94 -3.479659930e-01 -3.479659930e-01 4.96 -3.326624184e-01 -3.326624184e-01 4.98 -3.177199270e-01 -3.177199270e-01 5.00 -3.031795435e-01 -3.031795435e-01 5.02 -2.890821172e-01 -2.890821172e-01 5.04 -2.754661762e-01 -2.754661762e-01 5.06 -2.623659178e-01 -2.623659178e-01 5.08 -2.498094939e-01 -2.498094939e-01 5.10 -2.378177199e-01 -2.378177199e-01 5.12 -2.264032869e-01 -2.264032869e-01 5.14 -2.155705054e-01 -2.155705054e-01 5.16 -2.053155485e-01 -2.053155485e-01 5.18 -1.956271237e-01 -1.956271237e-01 5.20 -1.864874028e-01 -1.864874028e-01 5.22 -1.778732165e-01 -1.778732165e-01 5.24 -1.697577399e-01 -1.697577399e-01 5.26 -1.621114819e-01 -1.621114819e-01 5.28 -1.549035224e-01 -1.549035224e-01 5.30 -1.481026448e-01 -1.481026448e-01 5.32 -1.416783015e-01 -1.416783015e-01 5.34 -1.356013941e-01 -1.356013941e-01 5.36 -1.298448651e-01 -1.298448651e-01 5.38 -1.243841019e-01 -1.243841019e-01 5.40 -1.191971679e-01 -1.191971679e-01 5.42 -1.142648674e-01 -1.142648674e-01 5.44 -1.095706639e-01 -1.095706639e-01 5.46 -1.051004739e-01 -1.051004739e-01 5.48 -1.008423621e-01 -1.008423621e-01 5.50 -9.678615999e-02 -9.678615999e-02 5.52 -9.292305534e-02 -9.292305534e-02 5.54 -8.924517693e-02 -8.924517693e-02 5.56 -8.574520671e-02 -8.574520671e-02 5.58 -8.241604749e-02 -8.241604749e-02 5.60 -7.925053332e-02 -7.925053332e-02 5.62 -7.624113427e-02 -7.624113427e-02 5.64 -7.338029543e-02 -7.338029543e-02 5.66 -7.066014767e-02 -7.066014767e-02 5.68 -6.807249447e-02 -6.807249447e-02 5.70 -6.560890375e-02 -6.560890375e-02 5.72 -6.326082095e-02 -6.326082095e-02 5.74 -6.101968763e-02 -6.101968763e-02 5.76 -5.887705321e-02 -5.887705321e-02 5.78 -5.682467180e-02 -5.682467180e-02 5.80 -5.485457964e-02 -5.485457964e-02 5.82 -5.295915216e-02 -5.295915216e-02 5.84 -5.113114177e-02 -5.113114177e-02 5.86 -4.936369914e-02 -4.936369914e-02 5.88 -4.765038176e-02 -4.765038176e-02 5.90 -4.598515342e-02 -4.598515342e-02 5.92 -4.436237872e-02 -4.436237872e-02 5.94 -4.277681612e-02 -4.277681612e-02 5.96 -4.122361251e-02 -4.122361251e-02 5.98 -3.969830201e-02 -3.969830201e-02 6.00 -3.819681093e-02 -3.819681093e-02