# 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 = AuCu2Mg # 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 2.183030357e+02 2.183030357e+02 1.30 2.014873795e+02 2.014873795e+02 1.32 1.859625453e+02 1.859625453e+02 1.34 1.716242724e+02 1.716242724e+02 1.36 1.583773552e+02 1.583773552e+02 1.38 1.461345396e+02 1.461345396e+02 1.40 1.348156204e+02 1.348156204e+02 1.42 1.243467267e+02 1.243467267e+02 1.44 1.146597333e+02 1.146597333e+02 1.46 1.056919638e+02 1.056919638e+02 1.48 9.738622159e+01 9.738622159e+01 1.50 8.969080022e+01 8.969080022e+01 1.52 8.255903234e+01 8.255903234e+01 1.54 7.594837152e+01 7.594837152e+01 1.56 6.981943395e+01 6.981943395e+01 1.58 6.413937165e+01 6.413937165e+01 1.60 5.888506273e+01 5.888506273e+01 1.62 5.402431996e+01 5.402431996e+01 1.64 4.952716363e+01 4.952716363e+01 1.66 4.536675771e+01 4.536675771e+01 1.68 4.151865022e+01 4.151865022e+01 1.70 3.796021764e+01 3.796021764e+01 1.72 3.467037686e+01 3.467037686e+01 1.74 3.162946636e+01 3.162946636e+01 1.76 2.881921401e+01 2.881921401e+01 1.78 2.622269126e+01 2.622269126e+01 1.80 2.382419813e+01 2.382419813e+01 1.82 2.160911966e+01 2.160911966e+01 1.84 1.956381133e+01 1.956381133e+01 1.86 1.767553724e+01 1.767553724e+01 1.88 1.593242511e+01 1.593242511e+01 1.90 1.432342129e+01 1.432342129e+01 1.92 1.283824459e+01 1.283824459e+01 1.94 1.146736564e+01 1.146736564e+01 1.96 1.020201450e+01 1.020201450e+01 1.98 9.034202482e+00 9.034202482e+00 2.00 7.956719420e+00 7.956719420e+00 2.02 6.963081109e+00 6.963081109e+00 2.04 6.047431729e+00 6.047431729e+00 2.06 5.204424928e+00 5.204424928e+00 2.08 4.429111945e+00 4.429111945e+00 2.10 3.716856114e+00 3.716856114e+00 2.12 3.063282452e+00 3.063282452e+00 2.14 2.464252883e+00 2.464252883e+00 2.16 1.915855836e+00 1.915855836e+00 2.18 1.414397565e+00 1.414397565e+00 2.20 9.563934729e-01 9.563934729e-01 2.22 5.385598475e-01 5.385598475e-01 2.24 1.578104611e-01 1.578104611e-01 2.26 -1.887453228e-01 -1.887453228e-01 2.28 -5.038088473e-01 -5.038088473e-01 2.30 -7.899046099e-01 -7.899046099e-01 2.32 -1.049394715e+00 -1.049394715e+00 2.34 -1.284481365e+00 -1.284481365e+00 2.36 -1.497198378e+00 -1.497198378e+00 2.38 -1.689394840e+00 -1.689394840e+00 2.40 -1.862726176e+00 -1.862726176e+00 2.42 -2.018662391e+00 -2.018662391e+00 2.44 -2.158512051e+00 -2.158512051e+00 2.46 -2.283455338e+00 -2.283455338e+00 2.48 -2.394587078e+00 -2.394587078e+00 2.50 -2.492992048e+00 -2.492992048e+00 2.52 -2.579554080e+00 -2.579554080e+00 2.54 -2.655098966e+00 -2.655098966e+00 2.56 -2.720532522e+00 -2.720532522e+00 2.58 -2.777035408e+00 -2.777035408e+00 2.60 -2.824929179e+00 -2.824929179e+00 2.62 -2.864478348e+00 -2.864478348e+00 2.64 -2.896015637e+00 -2.896015637e+00 2.66 -2.919924526e+00 -2.919924526e+00 2.68 -2.936632838e+00 -2.936632838e+00 2.70 -2.946607287e+00 -2.946607287e+00 2.72 -2.950356582e+00 -2.950356582e+00 2.74 -2.948452145e+00 -2.948452145e+00 2.76 -2.941453355e+00 -2.941453355e+00 2.78 -2.929874619e+00 -2.929874619e+00 2.80 -2.914173663e+00 -2.914173663e+00 2.82 -2.894745951e+00 -2.894745951e+00 2.84 -2.871928658e+00 -2.871928658e+00 2.86 -2.846010324e+00 -2.846010324e+00 2.88 -2.817243971e+00 -2.817243971e+00 2.90 -2.785860425e+00 -2.785860425e+00 2.92 -2.752079702e+00 -2.752079702e+00 2.94 -2.716119470e+00 -2.716119470e+00 2.96 -2.678200430e+00 -2.678200430e+00 2.98 -2.638548925e+00 -2.638548925e+00 3.00 -2.597397136e+00 -2.597397136e+00 3.02 -2.554981147e+00 -2.554981147e+00 3.04 -2.511536896e+00 -2.511536896e+00 3.06 -2.467295488e+00 -2.467295488e+00 3.08 -2.422475386e+00 -2.422475386e+00 3.10 -2.377289630e+00 -2.377289630e+00 3.12 -2.331916096e+00 -2.331916096e+00 3.14 -2.286484324e+00 -2.286484324e+00 3.16 -2.241097772e+00 -2.241097772e+00 3.18 -2.195835120e+00 -2.195835120e+00 3.20 -2.150752543e+00 -2.150752543e+00 3.22 -2.105887664e+00 -2.105887664e+00 3.24 -2.061264234e+00 -2.061264234e+00 3.26 -2.016893949e+00 -2.016893949e+00 3.28 -1.972761734e+00 -1.972761734e+00 3.30 -1.928845582e+00 -1.928845582e+00 3.32 -1.885132007e+00 -1.885132007e+00 3.34 -1.841616640e+00 -1.841616640e+00 3.36 -1.798304079e+00 -1.798304079e+00 3.38 -1.755207190e+00 -1.755207190e+00 3.40 -1.712346001e+00 -1.712346001e+00 3.42 -1.669746553e+00 -1.669746553e+00 3.44 -1.627439166e+00 -1.627439166e+00 3.46 -1.585457051e+00 -1.585457051e+00 3.48 -1.543834641e+00 -1.543834641e+00 3.50 -1.502606013e+00 -1.502606013e+00 3.52 -1.461803464e+00 -1.461803464e+00 3.54 -1.421456328e+00 -1.421456328e+00 3.56 -1.381590124e+00 -1.381590124e+00 3.58 -1.342226090e+00 -1.342226090e+00 3.60 -1.303381123e+00 -1.303381123e+00 3.62 -1.265068143e+00 -1.265068143e+00 3.64 -1.227296855e+00 -1.227296855e+00 3.66 -1.190074894e+00 -1.190074894e+00 3.68 -1.153409270e+00 -1.153409270e+00 3.70 -1.117308063e+00 -1.117308063e+00 3.72 -1.081782185e+00 -1.081782185e+00 3.74 -1.046847068e+00 -1.046847068e+00 3.76 -1.012524002e+00 -1.012524002e+00 3.78 -9.788408890e-01 -9.788408890e-01 3.80 -9.458321438e-01 -9.458321438e-01 3.82 -9.135375817e-01 -9.135375817e-01 3.84 -8.820002531e-01 -8.820002531e-01 3.86 -8.512633826e-01 -8.512633826e-01 3.88 -8.213667573e-01 -8.213667573e-01 3.90 -7.923430502e-01 -7.923430502e-01 3.92 -7.642145096e-01 -7.642145096e-01 3.94 -7.369910752e-01 -7.369910752e-01 3.96 -7.106686082e-01 -7.106686082e-01 3.98 -6.852294800e-01 -6.852294800e-01 4.00 -6.606436459e-01 -6.606436459e-01 4.02 -6.368706230e-01 -6.368706230e-01 4.04 -6.138618998e-01 -6.138618998e-01 4.06 -5.915634616e-01 -5.915634616e-01 4.08 -5.699181956e-01 -5.699181956e-01 4.10 -5.488677716e-01 -5.488677716e-01 4.12 -5.283556032e-01 -5.283556032e-01 4.14 -5.083266271e-01 -5.083266271e-01 4.16 -4.887298754e-01 -4.887298754e-01 4.18 -4.695192920e-01 -4.695192920e-01 4.20 -4.506547745e-01 -4.506547745e-01 4.22 -4.321031445e-01 -4.321031445e-01 4.24 -4.138390539e-01 -4.138390539e-01 4.26 -3.958458057e-01 -3.958458057e-01 4.28 -3.781160403e-01 -3.781160403e-01 4.30 -3.606522150e-01 -3.606522150e-01 4.32 -3.434667896e-01 -3.434667896e-01 4.34 -3.265820279e-01 -3.265820279e-01 4.36 -3.100293290e-01 -3.100293290e-01 4.38 -2.938480285e-01 -2.938480285e-01 4.40 -2.780836444e-01 -2.780836444e-01 4.42 -2.627856008e-01 -2.627856008e-01 4.44 -2.480045299e-01 -2.480045299e-01 4.46 -2.337893253e-01 -2.337893253e-01 4.48 -2.201841804e-01 -2.201841804e-01 4.50 -2.072258792e-01 -2.072258792e-01 4.52 -1.949415938e-01 -1.949415938e-01 4.54 -1.833473961e-01 -1.833473961e-01 4.56 -1.724475958e-01 -1.724475958e-01 4.58 -1.622349138e-01 -1.622349138e-01 4.60 -1.526914001e-01 -1.526914001e-01 4.62 -1.437899283e-01 -1.437899283e-01 4.64 -1.354960662e-01 -1.354960662e-01 4.66 -1.277700960e-01 -1.277700960e-01 4.68 -1.205690094e-01 -1.205690094e-01 4.70 -1.138483797e-01 -1.138483797e-01 4.72 -1.075639274e-01 -1.075639274e-01 4.74 -1.016718725e-01 -1.016718725e-01 4.76 -9.613243373e-02 -9.613243373e-02 4.78 -9.090937150e-02 -9.090937150e-02 4.80 -8.596958825e-02 -8.596958825e-02 4.82 -8.128449007e-02 -8.128449007e-02 4.84 -7.682887593e-02 -7.682887593e-02 4.86 -7.258193546e-02 -7.258193546e-02 4.88 -6.852688822e-02 -6.852688822e-02 4.90 -6.465074478e-02 -6.465074478e-02 4.92 -6.094395832e-02 -6.094395832e-02 4.94 -5.739994637e-02 -5.739994637e-02 4.96 -5.401463087e-02 -5.401463087e-02 4.98 -5.078588564e-02 -5.078588564e-02 5.00 -4.771289219e-02 -4.771289219e-02 5.02 -4.479554822e-02 -4.479554822e-02 5.04 -4.203391310e-02 -4.203391310e-02 5.06 -3.942772259e-02 -3.942772259e-02 5.08 -3.697599945e-02 -3.697599945e-02 5.10 -3.467677740e-02 -3.467677740e-02 5.12 -3.252694496e-02 -3.252694496e-02 5.14 -3.052220447e-02 -3.052220447e-02 5.16 -2.865713178e-02 -2.865713178e-02 5.18 -2.692531574e-02 -2.692531574e-02 5.20 -2.531955187e-02 -2.531955187e-02 5.22 -2.383206689e-02 -2.383206689e-02 5.24 -2.245475140e-02 -2.245475140e-02 5.26 -2.117938251e-02 -2.117938251e-02 5.28 -1.999782386e-02 -1.999782386e-02 5.30 -1.890219487e-02 -1.890219487e-02 5.32 -1.788500527e-02 -1.788500527e-02 5.34 -1.693925428e-02 -1.693925428e-02 5.36 -1.605849607e-02 -1.605849607e-02 5.38 -1.523687441e-02 -1.523687441e-02 5.40 -1.446913034e-02 -1.446913034e-02 5.42 -1.375057003e-02 -1.375057003e-02 5.44 -1.307702589e-02 -1.307702589e-02 5.46 -1.244488519e-02 -1.244488519e-02 5.48 -1.185097655e-02 -1.185097655e-02 5.50 -1.129250468e-02 -1.129250468e-02 5.52 -1.076698749e-02 -1.076698749e-02 5.54 -1.027219592e-02 -1.027219592e-02 5.56 -9.806099704e-03 -9.806099704e-03 5.58 -9.366821477e-03 -9.366821477e-03 5.60 -8.952600593e-03 -8.952600593e-03 5.62 -8.561766786e-03 -8.561766786e-03 5.64 -8.192722991e-03 -8.192722991e-03 5.66 -7.843935906e-03 -7.843935906e-03 5.68 -7.513932441e-03 -7.513932441e-03 5.70 -7.201300148e-03 -7.201300148e-03 5.72 -6.904689850e-03 -6.904689850e-03 5.74 -6.622819027e-03 -6.622819027e-03 5.76 -6.354474892e-03 -6.354474892e-03 5.78 -6.098516505e-03 -6.098516505e-03 5.80 -5.853875611e-03 -5.853875611e-03 5.82 -5.619556176e-03 -5.619556176e-03 5.84 -5.394632763e-03 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