# 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 = Al2CoFe # 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 1.105654182e+02 1.105654182e+02 1.30 1.018971115e+02 1.018971115e+02 1.32 9.389360024e+01 9.389360024e+01 1.34 8.649876560e+01 8.649876560e+01 1.36 7.966218300e+01 7.966218300e+01 1.38 7.333958235e+01 7.333958235e+01 1.40 6.749187743e+01 6.749187743e+01 1.42 6.208331361e+01 6.208331361e+01 1.44 5.707971094e+01 5.707971094e+01 1.46 5.244779885e+01 5.244779885e+01 1.48 4.815609858e+01 4.815609858e+01 1.50 4.417655908e+01 4.417655908e+01 1.52 4.048540408e+01 4.048540408e+01 1.54 3.706249287e+01 3.706249287e+01 1.56 3.388991295e+01 3.388991295e+01 1.58 3.095082145e+01 3.095082145e+01 1.60 2.822956608e+01 2.822956608e+01 1.62 2.571035557e+01 2.571035557e+01 1.64 2.337793257e+01 2.337793257e+01 1.66 2.122054480e+01 2.122054480e+01 1.68 1.922408894e+01 1.922408894e+01 1.70 1.737505269e+01 1.737505269e+01 1.72 1.566163807e+01 1.566163807e+01 1.74 1.407371027e+01 1.407371027e+01 1.76 1.260239268e+01 1.260239268e+01 1.78 1.123964175e+01 1.123964175e+01 1.80 9.978035502e+00 9.978035502e+00 1.82 8.810751462e+00 8.810751462e+00 1.84 7.731581909e+00 7.731581909e+00 1.86 6.734881897e+00 6.734881897e+00 1.88 5.815435304e+00 5.815435304e+00 1.90 4.968270962e+00 4.968270962e+00 1.92 4.188475584e+00 4.188475584e+00 1.94 3.471058460e+00 3.471058460e+00 1.96 2.810917281e+00 2.810917281e+00 1.98 2.202926922e+00 2.202926922e+00 2.00 1.642132247e+00 1.642132247e+00 2.02 1.123985229e+00 1.123985229e+00 2.04 6.445385970e-01 6.445385970e-01 2.06 2.005209415e-01 2.005209415e-01 2.08 -2.107224980e-01 -2.107224980e-01 2.10 -5.913766618e-01 -5.913766618e-01 2.12 -9.433224802e-01 -9.433224802e-01 2.14 -1.268270690e+00 -1.268270690e+00 2.16 -1.567842145e+00 -1.567842145e+00 2.18 -1.843596754e+00 -1.843596754e+00 2.20 -2.097027009e+00 -2.097027009e+00 2.22 -2.329537100e+00 -2.329537100e+00 2.24 -2.542424626e+00 -2.542424626e+00 2.26 -2.736872581e+00 -2.736872581e+00 2.28 -2.913950682e+00 -2.913950682e+00 2.30 -3.074621406e+00 -3.074621406e+00 2.32 -3.219747311e+00 -3.219747311e+00 2.34 -3.350098592e+00 -3.350098592e+00 2.36 -3.466362673e+00 -3.466362673e+00 2.38 -3.569157835e+00 -3.569157835e+00 2.40 -3.659052424e+00 -3.659052424e+00 2.42 -3.736607687e+00 -3.736607687e+00 2.44 -3.802391520e+00 -3.802391520e+00 2.46 -3.856937972e+00 -3.856937972e+00 2.48 -3.900835512e+00 -3.900835512e+00 2.50 -3.934742918e+00 -3.934742918e+00 2.52 -3.959395874e+00 -3.959395874e+00 2.54 -3.975609499e+00 -3.975609499e+00 2.56 -3.984277061e+00 -3.984277061e+00 2.58 -3.986354166e+00 -3.986354166e+00 2.60 -3.983109160e+00 -3.983109160e+00 2.62 -3.976729162e+00 -3.976729162e+00 2.64 -3.967595476e+00 -3.967595476e+00 2.66 -3.955891164e+00 -3.955891164e+00 2.68 -3.941771550e+00 -3.941771550e+00 2.70 -3.925319855e+00 -3.925319855e+00 2.72 -3.906535883e+00 -3.906535883e+00 2.74 -3.885350343e+00 -3.885350343e+00 2.76 -3.861626204e+00 -3.861626204e+00 2.78 -3.835178606e+00 -3.835178606e+00 2.80 -3.805863149e+00 -3.805863149e+00 2.82 -3.773575461e+00 -3.773575461e+00 2.84 -3.738251883e+00 -3.738251883e+00 2.86 -3.699866213e+00 -3.699866213e+00 2.88 -3.658424496e+00 -3.658424496e+00 2.90 -3.613960313e+00 -3.613960313e+00 2.92 -3.566532688e+00 -3.566532688e+00 2.94 -3.516228047e+00 -3.516228047e+00 2.96 -3.463166508e+00 -3.463166508e+00 2.98 -3.407511320e+00 -3.407511320e+00 3.00 -3.349478666e+00 -3.349478666e+00 3.02 -3.289343892e+00 -3.289343892e+00 3.04 -3.227440102e+00 -3.227440102e+00 3.06 -3.164146649e+00 -3.164146649e+00 3.08 -3.099867742e+00 -3.099867742e+00 3.10 -3.035005174e+00 -3.035005174e+00 3.12 -2.969931042e+00 -2.969931042e+00 3.14 -2.904966742e+00 -2.904966742e+00 3.16 -2.840372023e+00 -2.840372023e+00 3.18 -2.776345053e+00 -2.776345053e+00 3.20 -2.713031029e+00 -2.713031029e+00 3.22 -2.650535563e+00 -2.650535563e+00 3.24 -2.588938820e+00 -2.588938820e+00 3.26 -2.528307383e+00 -2.528307383e+00 3.28 -2.468702233e+00 -2.468702233e+00 3.30 -2.410182501e+00 -2.410182501e+00 3.32 -2.352805656e+00 -2.352805656e+00 3.34 -2.296625297e+00 -2.296625297e+00 3.36 -2.241687848e+00 -2.241687848e+00 3.38 -2.188029328e+00 -2.188029328e+00 3.40 -2.135672983e+00 -2.135672983e+00 3.42 -2.084628231e+00 -2.084628231e+00 3.44 -2.034890887e+00 -2.034890887e+00 3.46 -1.986444531e+00 -1.986444531e+00 3.48 -1.939262571e+00 -1.939262571e+00 3.50 -1.893310622e+00 -1.893310622e+00 3.52 -1.848548851e+00 -1.848548851e+00 3.54 -1.804934054e+00 -1.804934054e+00 3.56 -1.762421339e+00 -1.762421339e+00 3.58 -1.720965372e+00 -1.720965372e+00 3.60 -1.680521248e+00 -1.680521248e+00 3.62 -1.641045048e+00 -1.641045048e+00 3.64 -1.602494177e+00 -1.602494177e+00 3.66 -1.564827553e+00 -1.564827553e+00 3.68 -1.528005734e+00 -1.528005734e+00 3.70 -1.491990990e+00 -1.491990990e+00 3.72 -1.456747352e+00 -1.456747352e+00 3.74 -1.422240642e+00 -1.422240642e+00 3.76 -1.388438439e+00 -1.388438439e+00 3.78 -1.355310007e+00 -1.355310007e+00 3.80 -1.322826128e+00 -1.322826128e+00 3.82 -1.290958879e+00 -1.290958879e+00 3.84 -1.259681337e+00 -1.259681337e+00 3.86 -1.228967244e+00 -1.228967244e+00 3.88 -1.198790651e+00 -1.198790651e+00 3.90 -1.169125580e+00 -1.169125580e+00 3.92 -1.139945706e+00 -1.139945706e+00 3.94 -1.111224139e+00 -1.111224139e+00 3.96 -1.082933208e+00 -1.082933208e+00 3.98 -1.055044425e+00 -1.055044425e+00 4.00 -1.027528536e+00 -1.027528536e+00 4.02 -1.000355731e+00 -1.000355731e+00 4.04 -9.734960466e-01 -9.734960466e-01 4.06 -9.469199896e-01 -9.469199896e-01 4.08 -9.205994238e-01 -9.205994238e-01 4.10 -8.945087136e-01 -8.945087136e-01 4.12 -8.686262443e-01 -8.686262443e-01 4.14 -8.429359956e-01 -8.429359956e-01 4.16 -8.174294807e-01 -8.174294807e-01 4.18 -7.921076077e-01 -7.921076077e-01 4.20 -7.669823875e-01 -7.669823875e-01 4.22 -7.420782125e-01 -7.420782125e-01 4.24 -7.174324279e-01 -7.174324279e-01 4.26 -6.930949332e-01 -6.930949332e-01 4.28 -6.691266328e-01 -6.691266328e-01 4.30 -6.455966857e-01 -6.455966857e-01 4.32 -6.225786910e-01 -6.225786910e-01 4.34 -6.001461272e-01 -6.001461272e-01 4.36 -5.783675166e-01 -5.783675166e-01 4.38 -5.573018541e-01 -5.573018541e-01 4.40 -5.369948079e-01 -5.369948079e-01 4.42 -5.174760722e-01 -5.174760722e-01 4.44 -4.987580627e-01 -4.987580627e-01 4.46 -4.808359433e-01 -4.808359433e-01 4.48 -4.636887983e-01 -4.636887983e-01 4.50 -4.472816528e-01 -4.472816528e-01 4.52 -4.315680023e-01 -4.315680023e-01 4.54 -4.164925337e-01 -4.164925337e-01 4.56 -4.019937801e-01 -4.019937801e-01 4.58 -3.880065331e-01 -3.880065331e-01 4.60 -3.744639218e-01 -3.744639218e-01 4.62 -3.612991332e-01 -3.612991332e-01 4.64 -3.484468058e-01 -3.484468058e-01 4.66 -3.358441573e-01 -3.358441573e-01 4.68 -3.234319275e-01 -3.234319275e-01 4.70 -3.111552151e-01 -3.111552151e-01 4.72 -2.989642895e-01 -2.989642895e-01 4.74 -2.868154228e-01 -2.868154228e-01 4.76 -2.746717852e-01 -2.746717852e-01 4.78 -2.625044115e-01 -2.625044115e-01 4.80 -2.502932034e-01 -2.502932034e-01 4.82 -2.380279805e-01 -2.380279805e-01 4.84 -2.257093097e-01 -2.257093097e-01 4.86 -2.133492554e-01 -2.133492554e-01 4.88 -2.009717160e-01 -2.009717160e-01 4.90 -1.886122957e-01 -1.886122957e-01 4.92 -1.763175842e-01 -1.763175842e-01 4.94 -1.641437761e-01 -1.641437761e-01 4.96 -1.521545994e-01 -1.521545994e-01 4.98 -1.404184234e-01 -1.404184234e-01 5.00 -1.290058684e-01 -1.290058684e-01 5.02 -1.179862387e-01 -1.179862387e-01 5.04 -1.074241648e-01 -1.074241648e-01 5.06 -9.737671637e-02 -9.737671637e-02 5.08 -8.789107089e-02 -8.789107089e-02 5.10 -7.900289859e-02 -7.900289859e-02 5.12 -7.073553929e-02 -7.073553929e-02 5.14 -6.309995744e-02 -6.309995744e-02 5.16 -5.609538579e-02 -5.609538579e-02 5.18 -4.971051433e-02 -4.971051433e-02 5.20 -4.392505414e-02 -4.392505414e-02 5.22 -3.871150350e-02 -3.871150350e-02 5.24 -3.403696128e-02 -3.403696128e-02 5.26 -2.986486274e-02 -2.986486274e-02 5.28 -2.615654942e-02 -2.615654942e-02 5.30 -2.287261234e-02 -2.287261234e-02 5.32 -1.997399665e-02 -1.997399665e-02 5.34 -1.742285859e-02 -1.742285859e-02 5.36 -1.518318746e-02 -1.518318746e-02 5.38 -1.322079579e-02 -1.322079579e-02 5.40 -1.150454184e-02 -1.150454184e-02 5.42 -1.000617077e-02 -1.000617077e-02 5.44 -8.699909063e-03 -8.699909063e-03 5.46 -7.562468477e-03 -7.562468477e-03 5.48 -6.572969711e-03 -6.572969711e-03 5.50 -5.712813346e-03 -5.712813346e-03 5.52 -4.965519161e-03 -4.965519161e-03 5.54 -4.316549381e-03 -4.316549381e-03 5.56 -3.753127053e-03 -3.753127053e-03 5.58 -3.264057251e-03 -3.264057251e-03 5.60 -2.839556195e-03 -2.839556195e-03 5.62 -2.471091415e-03 -2.471091415e-03 5.64 -2.151234625e-03 -2.151234625e-03 5.66 -1.873528003e-03 -1.873528003e-03 5.68 -1.632363826e-03 -1.632363826e-03 5.70 -1.422877009e-03 -1.422877009e-03 5.72 -1.240849748e-03 -1.240849748e-03 5.74 -1.082627371e-03 -1.082627371e-03 5.76 -9.450443785e-04 -9.450443785e-04 5.78 -8.253596779e-04 -8.253596779e-04 5.80 -7.212000332e-04 -7.212000332e-04 5.82 -6.305108014e-04 -6.305108014e-04 5.84 -5.515131057e-04 -5.515131057e-04 5.86 -4.826666606e-04 -4.826666606e-04 5.88 -4.226375479e-04 -4.226375479e-04 5.90 -3.702703109e-04 -3.702703109e-04 5.92 -3.245638097e-04 -3.245638097e-04 5.94 -2.846503432e-04 -2.846503432e-04 5.96 -2.497776052e-04 -2.497776052e-04 5.98 -2.192930935e-04 -2.192930935e-04 6.00 -1.926306444e-04 -1.926306444e-04