# 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 = AuPb2Zr # 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 4.892743643e+02 4.892743643e+02 1.30 4.578818689e+02 4.578818689e+02 1.32 4.286450081e+02 4.286450081e+02 1.34 4.013951935e+02 4.013951935e+02 1.36 3.759791342e+02 3.759791342e+02 1.38 3.522573268e+02 3.522573268e+02 1.40 3.301024973e+02 3.301024973e+02 1.42 3.093988217e+02 3.093988217e+02 1.44 2.900411380e+02 2.900411380e+02 1.46 2.719334500e+02 2.719334500e+02 1.48 2.549872178e+02 2.549872178e+02 1.50 2.391204500e+02 2.391204500e+02 1.52 2.242574466e+02 2.242574466e+02 1.54 2.103285444e+02 2.103285444e+02 1.56 1.972693984e+02 1.972693984e+02 1.58 1.850200952e+02 1.850200952e+02 1.60 1.735247145e+02 1.735247145e+02 1.62 1.627314511e+02 1.627314511e+02 1.64 1.525928930e+02 1.525928930e+02 1.66 1.430659454e+02 1.430659454e+02 1.68 1.341113336e+02 1.341113336e+02 1.70 1.256927129e+02 1.256927129e+02 1.72 1.177759403e+02 1.177759403e+02 1.74 1.103287049e+02 1.103287049e+02 1.76 1.033205768e+02 1.033205768e+02 1.78 9.672318539e+01 9.672318539e+01 1.80 9.051031753e+01 9.051031753e+01 1.82 8.465780240e+01 8.465780240e+01 1.84 7.914370477e+01 7.914370477e+01 1.86 7.394834728e+01 7.394834728e+01 1.88 6.906055939e+01 6.906055939e+01 1.90 6.446733740e+01 6.446733740e+01 1.92 6.015844768e+01 6.015844768e+01 1.94 5.611563717e+01 5.611563717e+01 1.96 5.232152830e+01 5.232152830e+01 1.98 4.876004460e+01 4.876004460e+01 2.00 4.541637969e+01 4.541637969e+01 2.02 4.227688403e+01 4.227688403e+01 2.04 3.932892260e+01 3.932892260e+01 2.06 3.656075312e+01 3.656075312e+01 2.08 3.396145613e+01 3.396145613e+01 2.10 3.152087893e+01 3.152087893e+01 2.12 2.922958563e+01 2.922958563e+01 2.14 2.707878993e+01 2.707878993e+01 2.16 2.506026501e+01 2.506026501e+01 2.18 2.316625787e+01 2.316625787e+01 2.20 2.138942972e+01 2.138942972e+01 2.22 1.972281789e+01 1.972281789e+01 2.24 1.815982139e+01 1.815982139e+01 2.26 1.669419766e+01 1.669419766e+01 2.28 1.532007616e+01 1.532007616e+01 2.30 1.403194092e+01 1.403194092e+01 2.32 1.282463855e+01 1.282463855e+01 2.34 1.169333837e+01 1.169333837e+01 2.36 1.063351274e+01 1.063351274e+01 2.38 9.640904756e+00 9.640904756e+00 2.40 8.711503643e+00 8.711503643e+00 2.42 7.841523855e+00 7.841523855e+00 2.44 7.027394762e+00 7.027394762e+00 2.46 6.265749369e+00 6.265749369e+00 2.48 5.553418612e+00 5.553418612e+00 2.50 4.887426329e+00 4.887426329e+00 2.52 4.264984100e+00 4.264984100e+00 2.54 3.683484526e+00 3.683484526e+00 2.56 3.140491968e+00 3.140491968e+00 2.58 2.633730803e+00 2.633730803e+00 2.60 2.161070677e+00 2.161070677e+00 2.62 1.720457637e+00 1.720457637e+00 2.64 1.310035182e+00 1.310035182e+00 2.66 9.280866669e-01 9.280866669e-01 2.68 5.729737088e-01 5.729737088e-01 2.70 2.431311201e-01 2.431311201e-01 2.72 -6.293559945e-02 -6.293559945e-02 2.74 -3.466506094e-01 -3.466506094e-01 2.76 -6.093665036e-01 -6.093665036e-01 2.78 -8.523368422e-01 -8.523368422e-01 2.80 -1.076638907e+00 -1.076638907e+00 2.82 -1.283267652e+00 -1.283267652e+00 2.84 -1.473178498e+00 -1.473178498e+00 2.86 -1.647283743e+00 -1.647283743e+00 2.88 -1.806452794e+00 -1.806452794e+00 2.90 -1.951513768e+00 -1.951513768e+00 2.92 -2.083255884e+00 -2.083255884e+00 2.94 -2.202432246e+00 -2.202432246e+00 2.96 -2.309765444e+00 -2.309765444e+00 2.98 -2.406006854e+00 -2.406006854e+00 3.00 -2.491793569e+00 -2.491793569e+00 3.02 -2.567705201e+00 -2.567705201e+00 3.04 -2.634308252e+00 -2.634308252e+00 3.06 -2.692162275e+00 -2.692162275e+00 3.08 -2.741810177e+00 -2.741810177e+00 3.10 -2.783784732e+00 -2.783784732e+00 3.12 -2.818604638e+00 -2.818604638e+00 3.14 -2.846780806e+00 -2.846780806e+00 3.16 -2.868800160e+00 -2.868800160e+00 3.18 -2.885132954e+00 -2.885132954e+00 3.20 -2.896231923e+00 -2.896231923e+00 3.22 -2.902528843e+00 -2.902528843e+00 3.24 -2.904430987e+00 -2.904430987e+00 3.26 -2.902318537e+00 -2.902318537e+00 3.28 -2.896543453e+00 -2.896543453e+00 3.30 -2.887429747e+00 -2.887429747e+00 3.32 -2.875274637e+00 -2.875274637e+00 3.34 -2.860349950e+00 -2.860349950e+00 3.36 -2.842903410e+00 -2.842903410e+00 3.38 -2.823159809e+00 -2.823159809e+00 3.40 -2.801321269e+00 -2.801321269e+00 3.42 -2.777573550e+00 -2.777573550e+00 3.44 -2.752080968e+00 -2.752080968e+00 3.46 -2.724993971e+00 -2.724993971e+00 3.48 -2.696450116e+00 -2.696450116e+00 3.50 -2.666576139e+00 -2.666576139e+00 3.52 -2.635495943e+00 -2.635495943e+00 3.54 -2.603372818e+00 -2.603372818e+00 3.56 -2.570278395e+00 -2.570278395e+00 3.58 -2.536264263e+00 -2.536264263e+00 3.60 -2.501385653e+00 -2.501385653e+00 3.62 -2.465700540e+00 -2.465700540e+00 3.64 -2.429269120e+00 -2.429269120e+00 3.66 -2.392153626e+00 -2.392153626e+00 3.68 -2.354418416e+00 -2.354418416e+00 3.70 -2.316130157e+00 -2.316130157e+00 3.72 -2.277355301e+00 -2.277355301e+00 3.74 -2.238151862e+00 -2.238151862e+00 3.76 -2.198581005e+00 -2.198581005e+00 3.78 -2.158710657e+00 -2.158710657e+00 3.80 -2.118614999e+00 -2.118614999e+00 3.82 -2.078373700e+00 -2.078373700e+00 3.84 -2.038070664e+00 -2.038070664e+00 3.86 -1.997792178e+00 -1.997792178e+00 3.88 -1.957624426e+00 -1.957624426e+00 3.90 -1.917650518e+00 -1.917650518e+00 3.92 -1.877945606e+00 -1.877945606e+00 3.94 -1.838581350e+00 -1.838581350e+00 3.96 -1.799612238e+00 -1.799612238e+00 3.98 -1.761082638e+00 -1.761082638e+00 4.00 -1.723024685e+00 -1.723024685e+00 4.02 -1.685459338e+00 -1.685459338e+00 4.04 -1.648398128e+00 -1.648398128e+00 4.06 -1.611845251e+00 -1.611845251e+00 4.08 -1.575799692e+00 -1.575799692e+00 4.10 -1.540251502e+00 -1.540251502e+00 4.12 -1.505207064e+00 -1.505207064e+00 4.14 -1.470653210e+00 -1.470653210e+00 4.16 -1.436584296e+00 -1.436584296e+00 4.18 -1.402996027e+00 -1.402996027e+00 4.20 -1.369885953e+00 -1.369885953e+00 4.22 -1.337253790e+00 -1.337253790e+00 4.24 -1.305101548e+00 -1.305101548e+00 4.26 -1.273433484e+00 -1.273433484e+00 4.28 -1.242255871e+00 -1.242255871e+00 4.30 -1.211576583e+00 -1.211576583e+00 4.32 -1.181404536e+00 -1.181404536e+00 4.34 -1.151749002e+00 -1.151749002e+00 4.36 -1.122618891e+00 -1.122618891e+00 4.38 -1.094022051e+00 -1.094022051e+00 4.40 -1.065964674e+00 -1.065964674e+00 4.42 -1.038450851e+00 -1.038450851e+00 4.44 -1.011482322e+00 -1.011482322e+00 4.46 -9.850584022e-01 -9.850584022e-01 4.48 -9.591760840e-01 -9.591760840e-01 4.50 -9.338302517e-01 -9.338302517e-01 4.52 -9.090139776e-01 -9.090139776e-01 4.54 -8.847188456e-01 -8.847188456e-01 4.56 -8.609352700e-01 -8.609352700e-01 4.58 -8.376527836e-01 -8.376527836e-01 4.60 -8.148602873e-01 -8.148602873e-01 4.62 -7.925462572e-01 -7.925462572e-01 4.64 -7.706989195e-01 -7.706989195e-01 4.66 -7.493064004e-01 -7.493064004e-01 4.68 -7.283568667e-01 -7.283568667e-01 4.70 -7.078386641e-01 -7.078386641e-01 4.72 -6.877404659e-01 -6.877404659e-01 4.74 -6.680514337e-01 -6.680514337e-01 4.76 -6.487613934e-01 -6.487613934e-01 4.78 -6.298610231e-01 -6.298610231e-01 4.80 -6.113376571e-01 -6.113376571e-01 4.82 -5.931937469e-01 -5.931937469e-01 4.84 -5.754184000e-01 -5.754184000e-01 4.86 -5.580074931e-01 -5.580074931e-01 4.88 -5.409584741e-01 -5.409584741e-01 4.90 -5.242703483e-01 -5.242703483e-01 4.92 -5.079435720e-01 -5.079435720e-01 4.94 -4.919798485e-01 -4.919798485e-01 4.96 -4.763818276e-01 -4.763818276e-01 4.98 -4.611527253e-01 -4.611527253e-01 5.00 -4.462958868e-01 -4.462958868e-01 5.02 -4.318143308e-01 -4.318143308e-01 5.04 -4.177103137e-01 -4.177103137e-01 5.06 -4.039849563e-01 -4.039849563e-01 5.08 -3.906379665e-01 -3.906379665e-01 5.10 -3.776674817e-01 -3.776674817e-01 5.12 -3.650700402e-01 -3.650700402e-01 5.14 -3.528406756e-01 -3.528406756e-01 5.16 -3.409731126e-01 -3.409731126e-01 5.18 -3.294600372e-01 -3.294600372e-01 5.20 -3.182934053e-01 -3.182934053e-01 5.22 -3.074647566e-01 -3.074647566e-01 5.24 -2.969655049e-01 -2.969655049e-01 5.26 -2.867871841e-01 -2.867871841e-01 5.28 -2.769216367e-01 -2.769216367e-01 5.30 -2.673611437e-01 -2.673611437e-01 5.32 -2.580984970e-01 -2.580984970e-01 5.34 -2.491270250e-01 -2.491270250e-01 5.36 -2.404405789e-01 -2.404405789e-01 5.38 -2.320334889e-01 -2.320334889e-01 5.40 -2.239004956e-01 -2.239004956e-01 5.42 -2.160366588e-01 -2.160366588e-01 5.44 -2.084372448e-01 -2.084372448e-01 5.46 -2.010975917e-01 -2.010975917e-01 5.48 -1.940129550e-01 -1.940129550e-01 5.50 -1.871783410e-01 -1.871783410e-01 5.52 -1.805883367e-01 -1.805883367e-01 5.54 -1.742369520e-01 -1.742369520e-01 5.56 -1.681174890e-01 -1.681174890e-01 5.58 -1.622224523e-01 -1.622224523e-01 5.60 -1.565435126e-01 -1.565435126e-01 5.62 -1.510715249e-01 -1.510715249e-01 5.64 -1.457966020e-01 -1.457966020e-01 5.66 -1.407082348e-01 -1.407082348e-01 5.68 -1.357954456e-01 -1.357954456e-01 5.70 -1.310469640e-01 -1.310469640e-01 5.72 -1.264514092e-01 -1.264514092e-01 5.74 -1.219974683e-01 -1.219974683e-01 5.76 -1.176740624e-01 -1.176740624e-01 5.78 -1.134704939e-01 -1.134704939e-01 5.80 -1.093765737e-01 -1.093765737e-01 5.82 -1.053827277e-01 -1.053827277e-01 5.84 -1.014800833e-01 -1.014800833e-01 5.86 -9.766053912e-02 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