# 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 = CuMgZr2 # 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 3.422068268e+02 3.422068268e+02 1.30 3.178073622e+02 3.178073622e+02 1.32 2.951851239e+02 2.951851239e+02 1.34 2.742022932e+02 2.742022932e+02 1.36 2.547329848e+02 2.547329848e+02 1.38 2.366618822e+02 2.366618822e+02 1.40 2.198830526e+02 2.198830526e+02 1.42 2.042982818e+02 2.042982818e+02 1.44 1.898156832e+02 1.898156832e+02 1.46 1.763497455e+02 1.763497455e+02 1.48 1.638222518e+02 1.638222518e+02 1.50 1.521623832e+02 1.521623832e+02 1.52 1.413056934e+02 1.413056934e+02 1.54 1.311928695e+02 1.311928695e+02 1.56 1.217691304e+02 1.217691304e+02 1.58 1.129843984e+02 1.129843984e+02 1.60 1.047934403e+02 1.047934403e+02 1.62 9.715546614e+01 9.715546614e+01 1.64 9.003330345e+01 9.003330345e+01 1.66 8.339260911e+01 8.339260911e+01 1.68 7.720135443e+01 7.720135443e+01 1.70 7.142970245e+01 7.142970245e+01 1.72 6.604990040e+01 6.604990040e+01 1.74 6.103612885e+01 6.103612885e+01 1.76 5.636423831e+01 5.636423831e+01 1.78 5.201151588e+01 5.201151588e+01 1.80 4.795643874e+01 4.795643874e+01 1.82 4.417853948e+01 4.417853948e+01 1.84 4.065820680e+01 4.065820680e+01 1.86 3.737718319e+01 3.737718319e+01 1.88 3.431883312e+01 3.431883312e+01 1.90 3.146717304e+01 3.146717304e+01 1.92 2.880779156e+01 2.880779156e+01 1.94 2.632774155e+01 2.632774155e+01 1.96 2.401516836e+01 2.401516836e+01 1.98 2.185937617e+01 2.185937617e+01 2.00 1.985050959e+01 1.985050959e+01 2.02 1.797940738e+01 1.797940738e+01 2.04 1.623748352e+01 1.623748352e+01 2.06 1.461660824e+01 1.461660824e+01 2.08 1.310900084e+01 1.310900084e+01 2.10 1.170717131e+01 1.170717131e+01 2.12 1.040394723e+01 1.040394723e+01 2.14 9.192536866e+00 9.192536866e+00 2.16 8.066630276e+00 8.066630276e+00 2.18 7.020436275e+00 7.020436275e+00 2.20 6.048660600e+00 6.048660600e+00 2.22 5.146409054e+00 5.146409054e+00 2.24 4.309106687e+00 4.309106687e+00 2.26 3.532459138e+00 3.532459138e+00 2.28 2.812437792e+00 2.812437792e+00 2.30 2.145324707e+00 2.145324707e+00 2.32 1.527667204e+00 1.527667204e+00 2.34 9.563158909e-01 9.563158909e-01 2.36 4.283553122e-01 4.283553122e-01 2.38 -5.892354526e-02 -5.892354526e-02 2.40 -5.080623399e-01 -5.080623399e-01 2.42 -9.214818181e-01 -9.214818181e-01 2.44 -1.301508206e+00 -1.301508206e+00 2.46 -1.650403090e+00 -1.650403090e+00 2.48 -1.970365214e+00 -1.970365214e+00 2.50 -2.263514530e+00 -2.263514530e+00 2.52 -2.531862555e+00 -2.531862555e+00 2.54 -2.777278640e+00 -2.777278640e+00 2.56 -3.001462754e+00 -3.001462754e+00 2.58 -3.205934110e+00 -3.205934110e+00 2.60 -3.392040422e+00 -3.392040422e+00 2.62 -3.560980468e+00 -3.560980468e+00 2.64 -3.713916843e+00 -3.713916843e+00 2.66 -3.851930353e+00 -3.851930353e+00 2.68 -3.975876934e+00 -3.975876934e+00 2.70 -4.086607040e+00 -4.086607040e+00 2.72 -4.184971710e+00 -4.184971710e+00 2.74 -4.271812010e+00 -4.271812010e+00 2.76 -4.347943551e+00 -4.347943551e+00 2.78 -4.414137307e+00 -4.414137307e+00 2.80 -4.471109965e+00 -4.471109965e+00 2.82 -4.519333181e+00 -4.519333181e+00 2.84 -4.559115498e+00 -4.559115498e+00 2.86 -4.590774770e+00 -4.590774770e+00 2.88 -4.614643004e+00 -4.614643004e+00 2.90 -4.631066370e+00 -4.631066370e+00 2.92 -4.640404997e+00 -4.640404997e+00 2.94 -4.643031539e+00 -4.643031539e+00 2.96 -4.639328236e+00 -4.639328236e+00 2.98 -4.629682739e+00 -4.629682739e+00 3.00 -4.614483224e+00 -4.614483224e+00 3.02 -4.594113521e+00 -4.594113521e+00 3.04 -4.568944184e+00 -4.568944184e+00 3.06 -4.539349603e+00 -4.539349603e+00 3.08 -4.505692750e+00 -4.505692750e+00 3.10 -4.468463160e+00 -4.468463160e+00 3.12 -4.427905658e+00 -4.427905658e+00 3.14 -4.384222824e+00 -4.384222824e+00 3.16 -4.337613040e+00 -4.337613040e+00 3.18 -4.288285695e+00 -4.288285695e+00 3.20 -4.236452523e+00 -4.236452523e+00 3.22 -4.182324658e+00 -4.182324658e+00 3.24 -4.126111296e+00 -4.126111296e+00 3.26 -4.068020274e+00 -4.068020274e+00 3.28 -4.008261241e+00 -4.008261241e+00 3.30 -3.947058140e+00 -3.947058140e+00 3.32 -3.884638034e+00 -3.884638034e+00 3.34 -3.821219860e+00 -3.821219860e+00 3.36 -3.757008406e+00 -3.757008406e+00 3.38 -3.692188571e+00 -3.692188571e+00 3.40 -3.626919920e+00 -3.626919920e+00 3.42 -3.561344019e+00 -3.561344019e+00 3.44 -3.495574476e+00 -3.495574476e+00 3.46 -3.429709927e+00 -3.429709927e+00 3.48 -3.363836223e+00 -3.363836223e+00 3.50 -3.298030293e+00 -3.298030293e+00 3.52 -3.232362792e+00 -3.232362792e+00 3.54 -3.166899487e+00 -3.166899487e+00 3.56 -3.101701658e+00 -3.101701658e+00 3.58 -3.036825900e+00 -3.036825900e+00 3.60 -2.972323712e+00 -2.972323712e+00 3.62 -2.908241170e+00 -2.908241170e+00 3.64 -2.844618921e+00 -2.844618921e+00 3.66 -2.781492643e+00 -2.781492643e+00 3.68 -2.718894072e+00 -2.718894072e+00 3.70 -2.656852618e+00 -2.656852618e+00 3.72 -2.595397578e+00 -2.595397578e+00 3.74 -2.534560817e+00 -2.534560817e+00 3.76 -2.474379723e+00 -2.474379723e+00 3.78 -2.414900413e+00 -2.414900413e+00 3.80 -2.356192613e+00 -2.356192613e+00 3.82 -2.298321290e+00 -2.298321290e+00 3.84 -2.241354874e+00 -2.241354874e+00 3.86 -2.185372602e+00 -2.185372602e+00 3.88 -2.130459667e+00 -2.130459667e+00 3.90 -2.076700728e+00 -2.076700728e+00 3.92 -2.024169084e+00 -2.024169084e+00 3.94 -1.972934927e+00 -1.972934927e+00 3.96 -1.923036394e+00 -1.923036394e+00 3.98 -1.874492864e+00 -1.874492864e+00 4.00 -1.827290274e+00 -1.827290274e+00 4.02 -1.781386544e+00 -1.781386544e+00 4.04 -1.736726658e+00 -1.736726658e+00 4.06 -1.693246832e+00 -1.693246832e+00 4.08 -1.650878465e+00 -1.650878465e+00 4.10 -1.609545587e+00 -1.609545587e+00 4.12 -1.569193297e+00 -1.569193297e+00 4.14 -1.529749578e+00 -1.529749578e+00 4.16 -1.491155056e+00 -1.491155056e+00 4.18 -1.453356323e+00 -1.453356323e+00 4.20 -1.416306381e+00 -1.416306381e+00 4.22 -1.379964835e+00 -1.379964835e+00 4.24 -1.344297934e+00 -1.344297934e+00 4.26 -1.309278572e+00 -1.309278572e+00 4.28 -1.274886265e+00 -1.274886265e+00 4.30 -1.241107116e+00 -1.241107116e+00 4.32 -1.207933750e+00 -1.207933750e+00 4.34 -1.175365144e+00 -1.175365144e+00 4.36 -1.143406292e+00 -1.143406292e+00 4.38 -1.112067640e+00 -1.112067640e+00 4.40 -1.081364221e+00 -1.081364221e+00 4.42 -1.051314498e+00 -1.051314498e+00 4.44 -1.021938922e+00 -1.021938922e+00 4.46 -9.932583068e-01 -9.932583068e-01 4.48 -9.652921361e-01 -9.652921361e-01 4.50 -9.380569634e-01 -9.380569634e-01 4.52 -9.115650506e-01 -9.115650506e-01 4.54 -8.858233721e-01 -8.858233721e-01 4.56 -8.608330584e-01 -8.608330584e-01 4.58 -8.365892920e-01 -8.365892920e-01 4.60 -8.130816172e-01 -8.130816172e-01 4.62 -7.902945784e-01 -7.902945784e-01 4.64 -7.682085806e-01 -7.682085806e-01 4.66 -7.468008621e-01 -7.468008621e-01 4.68 -7.260464799e-01 -7.260464799e-01 4.70 -7.059192315e-01 -7.059192315e-01 4.72 -6.863924616e-01 -6.863924616e-01 4.74 -6.674397235e-01 -6.674397235e-01 4.76 -6.490352894e-01 -6.490352894e-01 4.78 -6.311545131e-01 -6.311545131e-01 4.80 -6.137677594e-01 -6.137677594e-01 4.82 -5.968667964e-01 -5.968667964e-01 4.84 -5.804236274e-01 -5.804236274e-01 4.86 -5.644192612e-01 -5.644192612e-01 4.88 -5.488360280e-01 -5.488360280e-01 4.90 -5.336574557e-01 -5.336574557e-01 4.92 -5.188681272e-01 -5.188681272e-01 4.94 -5.044535297e-01 -5.044535297e-01 4.96 -4.903999050e-01 -4.903999050e-01 4.98 -4.766941086e-01 -4.766941086e-01 5.00 -4.633234807e-01 -4.633234807e-01 5.02 -4.502757346e-01 -4.502757346e-01 5.04 -4.375388633e-01 -4.375388633e-01 5.06 -4.251010678e-01 -4.251010678e-01 5.08 -4.129507066e-01 -4.129507066e-01 5.10 -4.010762696e-01 -4.010762696e-01 5.12 -3.894663770e-01 -3.894663770e-01 5.14 -3.781098055e-01 -3.781098055e-01 5.16 -3.669955439e-01 -3.669955439e-01 5.18 -3.561128797e-01 -3.561128797e-01 5.20 -3.454515187e-01 -3.454515187e-01 5.22 -3.350017389e-01 -3.350017389e-01 5.24 -3.247545775e-01 -3.247545775e-01 5.26 -3.147020469e-01 -3.147020469e-01 5.28 -3.048373748e-01 -3.048373748e-01 5.30 -2.951552556e-01 -2.951552556e-01 5.32 -2.856520975e-01 -2.856520975e-01 5.34 -2.763262440e-01 -2.763262440e-01 5.36 -2.671781434e-01 -2.671781434e-01 5.38 -2.582104373e-01 -2.582104373e-01 5.40 -2.494279412e-01 -2.494279412e-01 5.42 -2.408374927e-01 -2.408374927e-01 5.44 -2.324476535e-01 -2.324476535e-01 5.46 -2.242682666e-01 -2.242682666e-01 5.48 -2.163098852e-01 -2.163098852e-01 5.50 -2.085831104e-01 -2.085831104e-01 5.52 -2.010978868e-01 -2.010978868e-01 5.54 -1.938628174e-01 -1.938628174e-01 5.56 -1.868845580e-01 -1.868845580e-01 5.58 -1.801673406e-01 -1.801673406e-01 5.60 -1.737126670e-01 -1.737126670e-01 5.62 -1.675191834e-01 -1.675191834e-01 5.64 -1.615827328e-01 -1.615827328e-01 5.66 -1.558965607e-01 -1.558965607e-01 5.68 -1.504516371e-01 -1.504516371e-01 5.70 -1.452370534e-01 -1.452370534e-01 5.72 -1.402403398e-01 -1.402403398e-01 5.74 -1.354480275e-01 -1.354480275e-01 5.76 -1.308462080e-01 -1.308462080e-01 5.78 -1.264206542e-01 -1.264206542e-01 5.80 -1.221571145e-01 -1.221571145e-01 5.82 -1.180415466e-01 -1.180415466e-01 5.84 -1.140602913e-01 -1.140602913e-01 5.86 -1.102001962e-01 -1.102001962e-01 5.88 -1.064486966e-01 -1.064486966e-01 5.90 -1.027938664e-01 -1.027938664e-01 5.92 -9.922444923e-02 -9.922444923e-02 5.94 -9.572987732e-02 -9.572987732e-02 5.96 -9.230028882e-02 -9.230028882e-02 5.98 -8.892654897e-02 -8.892654897e-02 6.00 -8.560028115e-02 -8.560028115e-02