# 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 = AlCuZr2 # 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 2.170127215e+02 2.170127215e+02 1.30 2.016052555e+02 2.016052555e+02 1.32 1.873106131e+02 1.873106131e+02 1.34 1.740443075e+02 1.740443075e+02 1.36 1.617279524e+02 1.617279524e+02 1.38 1.502895355e+02 1.502895355e+02 1.40 1.396629131e+02 1.396629131e+02 1.42 1.297862793e+02 1.297862793e+02 1.44 1.206007007e+02 1.206007007e+02 1.46 1.120500450e+02 1.120500450e+02 1.48 1.040823646e+02 1.040823646e+02 1.50 9.665131341e+01 9.665131341e+01 1.52 8.971640081e+01 8.971640081e+01 1.54 8.324202250e+01 8.324202250e+01 1.56 7.719621949e+01 7.719621949e+01 1.58 7.154989588e+01 7.154989588e+01 1.60 6.627641800e+01 6.627641800e+01 1.62 6.135124687e+01 6.135124687e+01 1.64 5.675155137e+01 5.675155137e+01 1.66 5.245590783e+01 5.245590783e+01 1.68 4.844422193e+01 4.844422193e+01 1.70 4.469790370e+01 4.469790370e+01 1.72 4.119991724e+01 4.119991724e+01 1.74 3.793460309e+01 3.793460309e+01 1.76 3.488730225e+01 3.488730225e+01 1.78 3.204404550e+01 3.204404550e+01 1.80 2.939137723e+01 2.939137723e+01 1.82 2.691634961e+01 2.691634961e+01 1.84 2.460649784e+01 2.460649784e+01 1.86 2.245007252e+01 2.245007252e+01 1.88 2.043683888e+01 2.043683888e+01 1.90 1.855667599e+01 1.855667599e+01 1.92 1.680010834e+01 1.680010834e+01 1.94 1.515845102e+01 1.515845102e+01 1.96 1.362424924e+01 1.362424924e+01 1.98 1.219121903e+01 1.219121903e+01 2.00 1.085283173e+01 1.085283173e+01 2.02 9.603301152e+00 9.603301152e+00 2.04 8.437490827e+00 8.437490827e+00 2.06 7.350722951e+00 7.350722951e+00 2.08 6.338568524e+00 6.338568524e+00 2.10 5.396698303e+00 5.396698303e+00 2.12 4.520826783e+00 4.520826783e+00 2.14 3.706737604e+00 3.706737604e+00 2.16 2.950370943e+00 2.950370943e+00 2.18 2.247889409e+00 2.247889409e+00 2.20 1.595717461e+00 1.595717461e+00 2.22 9.905179785e-01 9.905179785e-01 2.24 4.291695970e-01 4.291695970e-01 2.26 -9.124019294e-02 -9.124019294e-02 2.28 -5.734191698e-01 -5.734191698e-01 2.30 -1.019829520e+00 -1.019829520e+00 2.32 -1.432720630e+00 -1.432720630e+00 2.34 -1.814109279e+00 -1.814109279e+00 2.36 -2.165831365e+00 -2.165831365e+00 2.38 -2.489572459e+00 -2.489572459e+00 2.40 -2.786908455e+00 -2.786908455e+00 2.42 -3.059354920e+00 -3.059354920e+00 2.44 -3.308397328e+00 -3.308397328e+00 2.46 -3.535522294e+00 -3.535522294e+00 2.48 -3.742219399e+00 -3.742219399e+00 2.50 -3.929964546e+00 -3.929964546e+00 2.52 -4.100191340e+00 -4.100191340e+00 2.54 -4.254261729e+00 -4.254261729e+00 2.56 -4.393445042e+00 -4.393445042e+00 2.58 -4.518909696e+00 -4.518909696e+00 2.60 -4.631726261e+00 -4.631726261e+00 2.62 -4.732873165e+00 -4.732873165e+00 2.64 -4.823258750e+00 -4.823258750e+00 2.66 -4.903709074e+00 -4.903709074e+00 2.68 -4.975092207e+00 -4.975092207e+00 2.70 -5.038038971e+00 -5.038038971e+00 2.72 -5.093060730e+00 -5.093060730e+00 2.74 -5.140639982e+00 -5.140639982e+00 2.76 -5.181226271e+00 -5.181226271e+00 2.78 -5.215228806e+00 -5.215228806e+00 2.80 -5.243024960e+00 -5.243024960e+00 2.82 -5.264941549e+00 -5.264941549e+00 2.84 -5.281255057e+00 -5.281255057e+00 2.86 -5.292046767e+00 -5.292046767e+00 2.88 -5.297330558e+00 -5.297330558e+00 2.90 -5.297166188e+00 -5.297166188e+00 2.92 -5.291658803e+00 -5.291658803e+00 2.94 -5.280956634e+00 -5.280956634e+00 2.96 -5.265247884e+00 -5.265247884e+00 2.98 -5.244756631e+00 -5.244756631e+00 3.00 -5.219737743e+00 -5.219737743e+00 3.02 -5.190470813e+00 -5.190470813e+00 3.04 -5.157248970e+00 -5.157248970e+00 3.06 -5.120389164e+00 -5.120389164e+00 3.08 -5.080195695e+00 -5.080195695e+00 3.10 -5.036973197e+00 -5.036973197e+00 3.12 -4.991172132e+00 -4.991172132e+00 3.14 -4.943672020e+00 -4.943672020e+00 3.16 -4.894582502e+00 -4.894582502e+00 3.18 -4.843824576e+00 -4.843824576e+00 3.20 -4.791352652e+00 -4.791352652e+00 3.22 -4.737148062e+00 -4.737148062e+00 3.24 -4.681214891e+00 -4.681214891e+00 3.26 -4.623578588e+00 -4.623578588e+00 3.28 -4.564286607e+00 -4.564286607e+00 3.30 -4.503409847e+00 -4.503409847e+00 3.32 -4.441048094e+00 -4.441048094e+00 3.34 -4.377329485e+00 -4.377329485e+00 3.36 -4.312403669e+00 -4.312403669e+00 3.38 -4.246422493e+00 -4.246422493e+00 3.40 -4.179530212e+00 -4.179530212e+00 3.42 -4.111867003e+00 -4.111867003e+00 3.44 -4.043556562e+00 -4.043556562e+00 3.46 -3.974714790e+00 -3.974714790e+00 3.48 -3.905449245e+00 -3.905449245e+00 3.50 -3.835860763e+00 -3.835860763e+00 3.52 -3.766044546e+00 -3.766044546e+00 3.54 -3.696090551e+00 -3.696090551e+00 3.56 -3.626083286e+00 -3.626083286e+00 3.58 -3.556101257e+00 -3.556101257e+00 3.60 -3.486216321e+00 -3.486216321e+00 3.62 -3.416493217e+00 -3.416493217e+00 3.64 -3.346989428e+00 -3.346989428e+00 3.66 -3.277755547e+00 -3.277755547e+00 3.68 -3.208836214e+00 -3.208836214e+00 3.70 -3.140271687e+00 -3.140271687e+00 3.72 -3.072100036e+00 -3.072100036e+00 3.74 -3.004359857e+00 -3.004359857e+00 3.76 -2.937093305e+00 -2.937093305e+00 3.78 -2.870349109e+00 -2.870349109e+00 3.80 -2.804185061e+00 -2.804185061e+00 3.82 -2.738669432e+00 -2.738669432e+00 3.84 -2.673880733e+00 -2.673880733e+00 3.86 -2.609905460e+00 -2.609905460e+00 3.88 -2.546833799e+00 -2.546833799e+00 3.90 -2.484753718e+00 -2.484753718e+00 3.92 -2.423741026e+00 -2.423741026e+00 3.94 -2.363867224e+00 -2.363867224e+00 3.96 -2.305172698e+00 -2.305172698e+00 3.98 -2.247680009e+00 -2.247680009e+00 4.00 -2.191389853e+00 -2.191389853e+00 4.02 -2.136283362e+00 -2.136283362e+00 4.04 -2.082325916e+00 -2.082325916e+00 4.06 -2.029471677e+00 -2.029471677e+00 4.08 -1.977668154e+00 -1.977668154e+00 4.10 -1.926853370e+00 -1.926853370e+00 4.12 -1.876988388e+00 -1.876988388e+00 4.14 -1.828014148e+00 -1.828014148e+00 4.16 -1.779885748e+00 -1.779885748e+00 4.18 -1.732565350e+00 -1.732565350e+00 4.20 -1.686023220e+00 -1.686023220e+00 4.22 -1.640238409e+00 -1.640238409e+00 4.24 -1.595199128e+00 -1.595199128e+00 4.26 -1.550902789e+00 -1.550902789e+00 4.28 -1.507355705e+00 -1.507355705e+00 4.30 -1.464572406e+00 -1.464572406e+00 4.32 -1.422574564e+00 -1.422574564e+00 4.34 -1.381389544e+00 -1.381389544e+00 4.36 -1.341048630e+00 -1.341048630e+00 4.38 -1.301585039e+00 -1.301585039e+00 4.40 -1.263031810e+00 -1.263031810e+00 4.42 -1.225419716e+00 -1.225419716e+00 4.44 -1.188775295e+00 -1.188775295e+00 4.46 -1.153119132e+00 -1.153119132e+00 4.48 -1.118464455e+00 -1.118464455e+00 4.50 -1.084816150e+00 -1.084816150e+00 4.52 -1.052170206e+00 -1.052170206e+00 4.54 -1.020513638e+00 -1.020513638e+00 4.56 -9.898248505e-01 -9.898248505e-01 4.58 -9.600744016e-01 -9.600744016e-01 4.60 -9.312260798e-01 -9.312260798e-01 4.62 -9.032382059e-01 -9.032382059e-01 4.64 -8.760650549e-01 -8.760650549e-01 4.66 -8.496583123e-01 -8.496583123e-01 4.68 -8.239684934e-01 -8.239684934e-01 4.70 -7.989462790e-01 -7.989462790e-01 4.72 -7.745437446e-01 -7.745437446e-01 4.74 -7.507154740e-01 -7.507154740e-01 4.76 -7.274195614e-01 -7.274195614e-01 4.78 -7.046185080e-01 -7.046185080e-01 4.80 -6.822739443e-01 -6.822739443e-01 4.82 -6.603726044e-01 -6.603726044e-01 4.84 -6.388872092e-01 -6.388872092e-01 4.86 -6.178045674e-01 -6.178045674e-01 4.88 -5.971184265e-01 -5.971184265e-01 4.90 -5.768293705e-01 -5.768293705e-01 4.92 -5.569444144e-01 -5.569444144e-01 4.94 -5.374762719e-01 -5.374762719e-01 4.96 -5.184422980e-01 -5.184422980e-01 4.98 -4.998631412e-01 -4.998631412e-01 5.00 -4.817611779e-01 -4.817611779e-01 5.02 -4.641588319e-01 -4.641588319e-01 5.04 -4.470769038e-01 -4.470769038e-01 5.06 -4.305330401e-01 -4.305330401e-01 5.08 -4.145404610e-01 -4.145404610e-01 5.10 -3.991070359e-01 -3.991070359e-01 5.12 -3.842347600e-01 -3.842347600e-01 5.14 -3.699196411e-01 -3.699196411e-01 5.16 -3.561519665e-01 -3.561519665e-01 5.18 -3.429168921e-01 -3.429168921e-01 5.20 -3.301952759e-01 -3.301952759e-01 5.22 -3.179646709e-01 -3.179646709e-01 5.24 -3.062003996e-01 -3.062003996e-01 5.26 -2.948766383e-01 -2.948766383e-01 5.28 -2.839674563e-01 -2.839674563e-01 5.30 -2.734477657e-01 -2.734477657e-01 5.32 -2.632941492e-01 -2.632941492e-01 5.34 -2.534855428e-01 -2.534855428e-01 5.36 -2.440037512e-01 -2.440037512e-01 5.38 -2.348337826e-01 -2.348337826e-01 5.40 -2.259639884e-01 -2.259639884e-01 5.42 -2.173860026e-01 -2.173860026e-01 5.44 -2.090944820e-01 -2.090944820e-01 5.46 -2.010866617e-01 -2.010866617e-01 5.48 -1.933617558e-01 -1.933617558e-01 5.50 -1.859202467e-01 -1.859202467e-01 5.52 -1.787631194e-01 -1.787631194e-01 5.54 -1.718911077e-01 -1.718911077e-01 5.56 -1.653040138e-01 -1.653040138e-01 5.58 -1.590001542e-01 -1.590001542e-01 5.60 -1.529759694e-01 -1.529759694e-01 5.62 -1.472255065e-01 -1.472255065e-01 5.64 -1.417410144e-01 -1.417410144e-01 5.66 -1.365129982e-01 -1.365129982e-01 5.68 -1.315301344e-01 -1.315301344e-01 5.70 -1.267796228e-01 -1.267796228e-01 5.72 -1.222475723e-01 -1.222475723e-01 5.74 -1.179193851e-01 -1.179193851e-01 5.76 -1.137801131e-01 -1.137801131e-01 5.78 -1.098147664e-01 -1.098147664e-01 5.80 -1.060085666e-01 -1.060085666e-01 5.82 -1.023471425e-01 -1.023471425e-01 5.84 -9.881667195e-02 -9.881667195e-02 5.86 -9.540397700e-02 -9.540397700e-02 5.88 -9.209658197e-02 -9.209658197e-02 5.90 -8.888274342e-02 -8.888274342e-02 5.92 -8.575146209e-02 -8.575146209e-02 5.94 -8.269248524e-02 -8.269248524e-02 5.96 -7.969630701e-02 -7.969630701e-02 5.98 -7.675417296e-02 -7.675417296e-02 6.00 -7.385809389e-02 -7.385809389e-02