# 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 = AlAuZr2 # 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 3.187710528e+02 3.187710528e+02 1.30 2.972639343e+02 2.972639343e+02 1.32 2.772720633e+02 2.772720633e+02 1.34 2.586777247e+02 2.586777247e+02 1.36 2.413722918e+02 2.413722918e+02 1.38 2.252564656e+02 2.252564656e+02 1.40 2.102401744e+02 2.102401744e+02 1.42 1.962418703e+02 1.962418703e+02 1.44 1.831874066e+02 1.831874066e+02 1.46 1.710082943e+02 1.710082943e+02 1.48 1.596401794e+02 1.596401794e+02 1.50 1.490228662e+02 1.490228662e+02 1.52 1.391015094e+02 1.391015094e+02 1.54 1.298270924e+02 1.298270924e+02 1.56 1.211556740e+02 1.211556740e+02 1.58 1.130468531e+02 1.130468531e+02 1.60 1.054625684e+02 1.054625684e+02 1.62 9.836652983e+01 9.836652983e+01 1.64 9.172428580e+01 9.172428580e+01 1.66 8.550341330e+01 8.550341330e+01 1.68 7.967376132e+01 7.967376132e+01 1.70 7.420763100e+01 7.420763100e+01 1.72 6.907974701e+01 6.907974701e+01 1.74 6.426704080e+01 6.426704080e+01 1.76 5.974837100e+01 5.974837100e+01 1.78 5.550429304e+01 5.550429304e+01 1.80 5.151689245e+01 5.151689245e+01 1.82 4.776959596e+01 4.776959596e+01 1.84 4.424708967e+01 4.424708967e+01 1.86 4.093531221e+01 4.093531221e+01 1.88 3.782138967e+01 3.782138967e+01 1.90 3.489349034e+01 3.489349034e+01 1.92 3.214098467e+01 3.214098467e+01 1.94 2.955440467e+01 2.955440467e+01 1.96 2.712417262e+01 2.712417262e+01 1.98 2.484736494e+01 2.484736494e+01 2.00 2.271824257e+01 2.271824257e+01 2.02 2.072844522e+01 2.072844522e+01 2.04 1.886910251e+01 1.886910251e+01 2.06 1.713196768e+01 1.713196768e+01 2.08 1.550942230e+01 1.550942230e+01 2.10 1.399440325e+01 1.399440325e+01 2.12 1.258027649e+01 1.258027649e+01 2.14 1.126075125e+01 1.126075125e+01 2.16 1.002981513e+01 1.002981513e+01 2.18 8.881702097e+00 8.881702097e+00 2.20 7.810913466e+00 7.810913466e+00 2.22 6.812235725e+00 6.812235725e+00 2.24 5.880775374e+00 5.880775374e+00 2.26 5.011994652e+00 5.011994652e+00 2.28 4.201725981e+00 4.201725981e+00 2.30 3.446203649e+00 3.446203649e+00 2.32 2.742039140e+00 2.742039140e+00 2.34 2.086173190e+00 2.086173190e+00 2.36 1.475825902e+00 1.475825902e+00 2.38 9.084337890e-01 9.084337890e-01 2.40 3.815971840e-01 3.815971840e-01 2.42 -1.069669927e-01 -1.069669927e-01 2.44 -5.594439714e-01 -5.594439714e-01 2.46 -9.779395981e-01 -9.779395981e-01 2.48 -1.364479021e+00 -1.364479021e+00 2.50 -1.721003749e+00 -1.721003749e+00 2.52 -2.049374587e+00 -2.049374587e+00 2.54 -2.351384094e+00 -2.351384094e+00 2.56 -2.628773448e+00 -2.628773448e+00 2.58 -2.883243585e+00 -2.883243585e+00 2.60 -3.116452381e+00 -3.116452381e+00 2.62 -3.329995852e+00 -3.329995852e+00 2.64 -3.525381711e+00 -3.525381711e+00 2.66 -3.703997695e+00 -3.703997695e+00 2.68 -3.867094361e+00 -3.867094361e+00 2.70 -4.015780097e+00 -4.015780097e+00 2.72 -4.151039023e+00 -4.151039023e+00 2.74 -4.273847287e+00 -4.273847287e+00 2.76 -4.384906133e+00 -4.384906133e+00 2.78 -4.484802789e+00 -4.484802789e+00 2.80 -4.574101954e+00 -4.574101954e+00 2.82 -4.653330761e+00 -4.653330761e+00 2.84 -4.722994238e+00 -4.722994238e+00 2.86 -4.783574439e+00 -4.783574439e+00 2.88 -4.835533782e+00 -4.835533782e+00 2.90 -4.879301104e+00 -4.879301104e+00 2.92 -4.915126976e+00 -4.915126976e+00 2.94 -4.943200844e+00 -4.943200844e+00 2.96 -4.963757850e+00 -4.963757850e+00 2.98 -4.977074158e+00 -4.977074158e+00 3.00 -4.983461608e+00 -4.983461608e+00 3.02 -4.983262427e+00 -4.983262427e+00 3.04 -4.976839502e+00 -4.976839502e+00 3.06 -4.964585797e+00 -4.964585797e+00 3.08 -4.946890802e+00 -4.946890802e+00 3.10 -4.924151166e+00 -4.924151166e+00 3.12 -4.896756403e+00 -4.896756403e+00 3.14 -4.865145369e+00 -4.865145369e+00 3.16 -4.830220568e+00 -4.830220568e+00 3.18 -4.792312255e+00 -4.792312255e+00 3.20 -4.751553812e+00 -4.751553812e+00 3.22 -4.708038321e+00 -4.708038321e+00 3.24 -4.661883559e+00 -4.661883559e+00 3.26 -4.613228127e+00 -4.613228127e+00 3.28 -4.562229194e+00 -4.562229194e+00 3.30 -4.509060647e+00 -4.509060647e+00 3.32 -4.453910297e+00 -4.453910297e+00 3.34 -4.396979649e+00 -4.396979649e+00 3.36 -4.338478449e+00 -4.338478449e+00 3.38 -4.278606518e+00 -4.278606518e+00 3.40 -4.217544609e+00 -4.217544609e+00 3.42 -4.155461120e+00 -4.155461120e+00 3.44 -4.092501077e+00 -4.092501077e+00 3.46 -4.028795031e+00 -4.028795031e+00 3.48 -3.964459698e+00 -3.964459698e+00 3.50 -3.899600905e+00 -3.899600905e+00 3.52 -3.834316103e+00 -3.834316103e+00 3.54 -3.768696113e+00 -3.768696113e+00 3.56 -3.702826057e+00 -3.702826057e+00 3.58 -3.636785636e+00 -3.636785636e+00 3.60 -3.570648973e+00 -3.570648973e+00 3.62 -3.504484275e+00 -3.504484275e+00 3.64 -3.438353522e+00 -3.438353522e+00 3.66 -3.372312381e+00 -3.372312381e+00 3.68 -3.306410486e+00 -3.306410486e+00 3.70 -3.240692199e+00 -3.240692199e+00 3.72 -3.175197943e+00 -3.175197943e+00 3.74 -3.109966084e+00 -3.109966084e+00 3.76 -3.045035292e+00 -3.045035292e+00 3.78 -2.980447144e+00 -2.980447144e+00 3.80 -2.916248610e+00 -2.916248610e+00 3.82 -2.852493920e+00 -2.852493920e+00 3.84 -2.789245291e+00 -2.789245291e+00 3.86 -2.726572060e+00 -2.726572060e+00 3.88 -2.664548075e+00 -2.664548075e+00 3.90 -2.603247559e+00 -2.603247559e+00 3.92 -2.542736818e+00 -2.542736818e+00 3.94 -2.483083013e+00 -2.483083013e+00 3.96 -2.424328495e+00 -2.424328495e+00 3.98 -2.366503867e+00 -2.366503867e+00 4.00 -2.309623617e+00 -2.309623617e+00 4.02 -2.253687632e+00 -2.253687632e+00 4.04 -2.198683987e+00 -2.198683987e+00 4.06 -2.144592398e+00 -2.144592398e+00 4.08 -2.091387770e+00 -2.091387770e+00 4.10 -2.039036581e+00 -2.039036581e+00 4.12 -1.987528358e+00 -1.987528358e+00 4.14 -1.936832588e+00 -1.936832588e+00 4.16 -1.886932215e+00 -1.886932215e+00 4.18 -1.837816392e+00 -1.837816392e+00 4.20 -1.789481287e+00 -1.789481287e+00 4.22 -1.741930489e+00 -1.741930489e+00 4.24 -1.695175017e+00 -1.695175017e+00 4.26 -1.649232868e+00 -1.649232868e+00 4.28 -1.604128069e+00 -1.604128069e+00 4.30 -1.559889223e+00 -1.559889223e+00 4.32 -1.516547592e+00 -1.516547592e+00 4.34 -1.474134843e+00 -1.474134843e+00 4.36 -1.432680634e+00 -1.432680634e+00 4.38 -1.392210274e+00 -1.392210274e+00 4.40 -1.352742676e+00 -1.352742676e+00 4.42 -1.314288818e+00 -1.314288818e+00 4.44 -1.276850801e+00 -1.276850801e+00 4.46 -1.240421559e+00 -1.240421559e+00 4.48 -1.204985168e+00 -1.204985168e+00 4.50 -1.170517621e+00 -1.170517621e+00 4.52 -1.136987941e+00 -1.136987941e+00 4.54 -1.104359471e+00 -1.104359471e+00 4.56 -1.072591200e+00 -1.072591200e+00 4.58 -1.041639048e+00 -1.041639048e+00 4.60 -1.011457028e+00 -1.011457028e+00 4.62 -9.819982761e-01 -9.819982761e-01 4.64 -9.532159471e-01 -9.532159471e-01 4.66 -9.250640000e-01 -9.250640000e-01 4.68 -8.974979087e-01 -8.974979087e-01 4.70 -8.704753317e-01 -8.704753317e-01 4.72 -8.439567768e-01 -8.439567768e-01 4.74 -8.179062818e-01 -8.179062818e-01 4.76 -7.922921263e-01 -7.922921263e-01 4.78 -7.670875692e-01 -7.670875692e-01 4.80 -7.422655755e-01 -7.422655755e-01 4.82 -7.178246022e-01 -7.178246022e-01 4.84 -6.937499110e-01 -6.937499110e-01 4.86 -6.700415074e-01 -6.700415074e-01 4.88 -6.467071200e-01 -6.467071200e-01 4.90 -6.237620997e-01 -6.237620997e-01 4.92 -6.012289327e-01 -6.012289327e-01 4.94 -5.791363287e-01 -5.791363287e-01 4.96 -5.575178795e-01 -5.575178795e-01 4.98 -5.364103380e-01 -5.364103380e-01 5.00 -5.158516099e-01 -5.158516099e-01 5.02 -4.958785987e-01 -4.958785987e-01 5.04 -4.765250693e-01 -4.765250693e-01 5.06 -4.578197047e-01 -4.578197047e-01 5.08 -4.397845106e-01 -4.397845106e-01 5.10 -4.224336876e-01 -4.224336876e-01 5.12 -4.057730345e-01 -4.057730345e-01 5.14 -3.897998936e-01 -3.897998936e-01 5.16 -3.745035920e-01 -3.745035920e-01 5.18 -3.598662964e-01 -3.598662964e-01 5.20 -3.458641749e-01 -3.458641749e-01 5.22 -3.324687487e-01 -3.324687487e-01 5.24 -3.196483288e-01 -3.196483288e-01 5.26 -3.073694426e-01 -3.073694426e-01 5.28 -2.955981796e-01 -2.955981796e-01 5.30 -2.843014010e-01 -2.843014010e-01 5.32 -2.734477792e-01 -2.734477792e-01 5.34 -2.630086402e-01 -2.630086402e-01 5.36 -2.529585959e-01 -2.529585959e-01 5.38 -2.432759533e-01 -2.432759533e-01 5.40 -2.339428972e-01 -2.339428972e-01 5.42 -2.249454447e-01 -2.249454447e-01 5.44 -2.162731810e-01 -2.162731810e-01 5.46 -2.079187952e-01 -2.079187952e-01 5.48 -1.998774515e-01 -1.998774515e-01 5.50 -1.921460432e-01 -1.921460432e-01 5.52 -1.847223874e-01 -1.847223874e-01 5.54 -1.776044312e-01 -1.776044312e-01 5.56 -1.707895317e-01 -1.707895317e-01 5.58 -1.642738644e-01 -1.642738644e-01 5.60 -1.580519993e-01 -1.580519993e-01 5.62 -1.521164417e-01 -1.521164417e-01 5.64 -1.464578503e-01 -1.464578503e-01 5.66 -1.410655028e-01 -1.410655028e-01 5.68 -1.359269997e-01 -1.359269997e-01 5.70 -1.310285913e-01 -1.310285913e-01 5.72 -1.263555475e-01 -1.263555475e-01 5.74 -1.218925277e-01 -1.218925277e-01 5.76 -1.176239240e-01 -1.176239240e-01 5.78 -1.135341581e-01 -1.135341581e-01 5.80 -1.096079246e-01 -1.096079246e-01 5.82 -1.058303779e-01 -1.058303779e-01 5.84 -1.021872665e-01 -1.021872665e-01 5.86 -9.866502152e-02 -9.866502152e-02 5.88 -9.525080931e-02 -9.525080931e-02 5.90 -9.193255722e-02 -9.193255722e-02 5.92 -8.869896198e-02 -8.869896198e-02 5.94 -8.553948951e-02 -8.553948951e-02 5.96 -8.244437359e-02 -8.244437359e-02 5.98 -7.940461963e-02 -7.940461963e-02 6.00 -7.641201852e-02 -7.641201852e-02