# 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 = CoFe2Pd # 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 2.086143662e+02 2.086143662e+02 1.30 1.910842093e+02 1.910842093e+02 1.32 1.749776713e+02 1.749776713e+02 1.34 1.601751299e+02 1.601751299e+02 1.36 1.465679793e+02 1.465679793e+02 1.38 1.340562190e+02 1.340562190e+02 1.40 1.225476002e+02 1.225476002e+02 1.42 1.119578911e+02 1.119578911e+02 1.44 1.022112340e+02 1.022112340e+02 1.46 9.323973989e+01 9.323973989e+01 1.48 8.498231667e+01 8.498231667e+01 1.50 7.738331002e+01 7.738331002e+01 1.52 7.039131642e+01 7.039131642e+01 1.54 6.395827214e+01 6.395827214e+01 1.56 5.803891980e+01 5.803891980e+01 1.58 5.259065233e+01 5.259065233e+01 1.60 4.757362382e+01 4.757362382e+01 1.62 4.295098294e+01 4.295098294e+01 1.64 3.869105141e+01 3.869105141e+01 1.66 3.478285287e+01 3.478285287e+01 1.68 3.120272860e+01 3.120272860e+01 1.70 2.792495798e+01 2.792495798e+01 1.72 2.492630273e+01 2.492630273e+01 1.74 2.218532659e+01 2.218532659e+01 1.76 1.968190069e+01 1.968190069e+01 1.78 1.739700752e+01 1.739700752e+01 1.80 1.531276513e+01 1.531276513e+01 1.82 1.341250709e+01 1.341250709e+01 1.84 1.168080825e+01 1.168080825e+01 1.86 1.010344633e+01 1.010344633e+01 1.88 8.667335302e+00 8.667335302e+00 1.90 7.360452101e+00 7.360452101e+00 1.92 6.171752164e+00 6.171752164e+00 1.94 5.091067055e+00 5.091067055e+00 1.96 4.108996458e+00 4.108996458e+00 1.98 3.216824484e+00 3.216824484e+00 2.00 2.406484911e+00 2.406484911e+00 2.02 1.670571255e+00 1.670571255e+00 2.04 1.002361151e+00 1.002361151e+00 2.06 3.958230966e-01 3.958230966e-01 2.08 -1.544086990e-01 -1.544086990e-01 2.10 -6.530891403e-01 -6.530891403e-01 2.12 -1.104436833e+00 -1.104436833e+00 2.14 -1.512216064e+00 -1.512216064e+00 2.16 -1.879814155e+00 -1.879814155e+00 2.18 -2.210305789e+00 -2.210305789e+00 2.20 -2.506501909e+00 -2.506501909e+00 2.22 -2.770985858e+00 -2.770985858e+00 2.24 -3.006140988e+00 -3.006140988e+00 2.26 -3.214172871e+00 -3.214172871e+00 2.28 -3.397127876e+00 -3.397127876e+00 2.30 -3.556909304e+00 -3.556909304e+00 2.32 -3.695291931e+00 -3.695291931e+00 2.34 -3.813935316e+00 -3.813935316e+00 2.36 -3.914395750e+00 -3.914395750e+00 2.38 -3.998156345e+00 -3.998156345e+00 2.40 -4.066631429e+00 -4.066631429e+00 2.42 -4.121061375e+00 -4.121061375e+00 2.44 -4.162631589e+00 -4.162631589e+00 2.46 -4.192486005e+00 -4.192486005e+00 2.48 -4.212024500e+00 -4.212024500e+00 2.50 -4.222444178e+00 -4.222444178e+00 2.52 -4.224487041e+00 -4.224487041e+00 2.54 -4.218814726e+00 -4.218814726e+00 2.56 -4.206026461e+00 -4.206026461e+00 2.58 -4.186711416e+00 -4.186711416e+00 2.60 -4.161433489e+00 -4.161433489e+00 2.62 -4.130741237e+00 -4.130741237e+00 2.64 -4.095190150e+00 -4.095190150e+00 2.66 -4.055227591e+00 -4.055227591e+00 2.68 -4.010945151e+00 -4.010945151e+00 2.70 -3.962338526e+00 -3.962338526e+00 2.72 -3.909444385e+00 -3.909444385e+00 2.74 -3.852339194e+00 -3.852339194e+00 2.76 -3.791141240e+00 -3.791141240e+00 2.78 -3.726014578e+00 -3.726014578e+00 2.80 -3.657173283e+00 -3.657173283e+00 2.82 -3.584884291e+00 -3.584884291e+00 2.84 -3.509467224e+00 -3.509467224e+00 2.86 -3.431289812e+00 -3.431289812e+00 2.88 -3.350758238e+00 -3.350758238e+00 2.90 -3.268302588e+00 -3.268302588e+00 2.92 -3.184358689e+00 -3.184358689e+00 2.94 -3.099348585e+00 -3.099348585e+00 2.96 -3.013662451e+00 -3.013662451e+00 2.98 -2.927644663e+00 -2.927644663e+00 3.00 -2.841585785e+00 -2.841585785e+00 3.02 -2.755720775e+00 -2.755720775e+00 3.04 -2.670232359e+00 -2.670232359e+00 3.06 -2.585257874e+00 -2.585257874e+00 3.08 -2.500898137e+00 -2.500898137e+00 3.10 -2.417227622e+00 -2.417227622e+00 3.12 -2.334305724e+00 -2.334305724e+00 3.14 -2.252188839e+00 -2.252188839e+00 3.16 -2.170942479e+00 -2.170942479e+00 3.18 -2.090652162e+00 -2.090652162e+00 3.20 -2.011431644e+00 -2.011431644e+00 3.22 -1.933427273e+00 -1.933427273e+00 3.24 -1.856817736e+00 -1.856817736e+00 3.26 -1.781809082e+00 -1.781809082e+00 3.28 -1.708625495e+00 -1.708625495e+00 3.30 -1.637496894e+00 -1.637496894e+00 3.32 -1.568644844e+00 -1.568644844e+00 3.34 -1.502268539e+00 -1.502268539e+00 3.36 -1.438532537e+00 -1.438532537e+00 3.38 -1.377557625e+00 -1.377557625e+00 3.40 -1.319415659e+00 -1.319415659e+00 3.42 -1.264128568e+00 -1.264128568e+00 3.44 -1.211671126e+00 -1.211671126e+00 3.46 -1.161976667e+00 -1.161976667e+00 3.48 -1.114944691e+00 -1.114944691e+00 3.50 -1.070449298e+00 -1.070449298e+00 3.52 -1.028347543e+00 -1.028347543e+00 3.54 -9.884870312e-01 -9.884870312e-01 3.56 -9.507123481e-01 -9.507123481e-01 3.58 -9.148701427e-01 -9.148701427e-01 3.60 -8.808128668e-01 -8.808128668e-01 3.62 -8.484012949e-01 -8.484012949e-01 3.64 -8.175060127e-01 -8.175060127e-01 3.66 -7.880080878e-01 -7.880080878e-01 3.68 -7.597991255e-01 -7.597991255e-01 3.70 -7.327808951e-01 -7.327808951e-01 3.72 -7.068646764e-01 -7.068646764e-01 3.74 -6.819704483e-01 -6.819704483e-01 3.76 -6.580260099e-01 -6.580260099e-01 3.78 -6.349661022e-01 -6.349661022e-01 3.80 -6.127315766e-01 -6.127315766e-01 3.82 -5.912686436e-01 -5.912686436e-01 3.84 -5.705282226e-01 -5.705282226e-01 3.86 -5.504654075e-01 -5.504654075e-01 3.88 -5.310390547e-01 -5.310390547e-01 3.90 -5.122114987e-01 -5.122114987e-01 3.92 -4.939483909e-01 -4.939483909e-01 3.94 -4.762186571e-01 -4.762186571e-01 3.96 -4.589945540e-01 -4.589945540e-01 3.98 -4.422518039e-01 -4.422518039e-01 4.00 -4.259697672e-01 -4.259697672e-01 4.02 -4.101316053e-01 -4.101316053e-01 4.04 -3.947243780e-01 -3.947243780e-01 4.06 -3.797390144e-01 -3.797390144e-01 4.08 -3.651701062e-01 -3.651701062e-01 4.10 -3.510154905e-01 -3.510154905e-01 4.12 -3.372756239e-01 -3.372756239e-01 4.14 -3.239527774e-01 -3.239527774e-01 4.16 -3.110501306e-01 -3.110501306e-01 4.18 -2.985708524e-01 -2.985708524e-01 4.20 -2.865172642e-01 -2.865172642e-01 4.22 -2.748901524e-01 -2.748901524e-01 4.24 -2.636882637e-01 -2.636882637e-01 4.26 -2.529079739e-01 -2.529079739e-01 4.28 -2.425430893e-01 -2.425430893e-01 4.30 -2.325847316e-01 -2.325847316e-01 4.32 -2.230212630e-01 -2.230212630e-01 4.34 -2.138381256e-01 -2.138381256e-01 4.36 -2.050183101e-01 -2.050183101e-01 4.38 -1.965422650e-01 -1.965422650e-01 4.40 -1.883882697e-01 -1.883882697e-01 4.42 -1.805327162e-01 -1.805327162e-01 4.44 -1.729506694e-01 -1.729506694e-01 4.46 -1.656165064e-01 -1.656165064e-01 4.48 -1.585045872e-01 -1.585045872e-01 4.50 -1.515899169e-01 -1.515899169e-01 4.52 -1.448487686e-01 -1.448487686e-01 4.54 -1.382592543e-01 -1.382592543e-01 4.56 -1.318018355e-01 -1.318018355e-01 4.58 -1.254597751e-01 -1.254597751e-01 4.60 -1.192195290e-01 -1.192195290e-01 4.62 -1.130710717e-01 -1.130710717e-01 4.64 -1.070081425e-01 -1.070081425e-01 4.66 -1.010283919e-01 -1.010283919e-01 4.68 -9.513340292e-02 -9.513340292e-02 4.70 -8.932856385e-02 -8.932856385e-02 4.72 -8.362277586e-02 -8.362277586e-02 4.74 -7.802799218e-02 -7.802799218e-02 4.76 -7.255860564e-02 -7.255860564e-02 4.78 -6.723072032e-02 -6.723072032e-02 4.80 -6.206136044e-02 -6.206136044e-02 4.82 -5.706768009e-02 -5.706768009e-02 4.84 -5.226623125e-02 -5.226623125e-02 4.86 -4.767234196e-02 -4.767234196e-02 4.88 -4.329962734e-02 -4.329962734e-02 4.90 -3.915963615e-02 -3.915963615e-02 4.92 -3.526161322e-02 -3.526161322e-02 4.94 -3.161234711e-02 -3.161234711e-02 4.96 -2.821607124e-02 -2.821607124e-02 4.98 -2.507439454e-02 -2.507439454e-02 5.00 -2.218626982e-02 -2.218626982e-02 5.02 -1.954800053e-02 -1.954800053e-02 5.04 -1.715331003e-02 -1.715331003e-02 5.06 -1.499307136e-02 -1.499307136e-02 5.08 -1.305615115e-02 -1.305615115e-02 5.10 -1.133033173e-02 -1.133033173e-02 5.12 -9.801744506e-03 -9.801744506e-03 5.14 -8.455386225e-03 -8.455386225e-03 5.16 -7.275636585e-03 -7.275636585e-03 5.18 -6.246735111e-03 -6.246735111e-03 5.20 -5.353193361e-03 -5.353193361e-03 5.22 -4.580128136e-03 -4.580128136e-03 5.24 -3.913510858e-03 -3.913510858e-03 5.26 -3.340336244e-03 -3.340336244e-03 5.28 -2.848718963e-03 -2.848718963e-03 5.30 -2.427930198e-03 -2.427930198e-03 5.32 -2.068387073e-03 -2.068387073e-03 5.34 -1.761607502e-03 -1.761607502e-03 5.36 -1.500141619e-03 -1.500141619e-03 5.38 -1.277489075e-03 -1.277489075e-03 5.40 -1.088009520e-03 -1.088009520e-03 5.42 -9.268317247e-04 -9.268317247e-04 5.44 -7.897651951e-04 -7.897651951e-04 5.46 -6.732167954e-04 -6.732167954e-04 5.48 -5.741138834e-04 -5.741138834e-04 5.50 -4.898346867e-04 -4.898346867e-04 5.52 -4.181461094e-04 -4.181461094e-04 5.54 -3.571487856e-04 -3.571487856e-04 5.56 -3.052289686e-04 -3.052289686e-04 5.58 -2.610167060e-04 -2.610167060e-04 5.60 -2.233496941e-04 -2.233496941e-04 5.62 -1.912421894e-04 -1.912421894e-04 5.64 -1.638583721e-04 -1.638583721e-04 5.66 -1.404895974e-04 -1.404895974e-04 5.68 -1.205350155e-04 -1.205350155e-04 5.70 -1.034850960e-04 -1.034850960e-04 5.72 -8.890764313e-05 -8.890764313e-05 5.74 -7.643594054e-05 -7.643594054e-05 5.76 -6.575871121e-05 -6.575871121e-05 5.78 -5.661161998e-05 -5.661161998e-05 5.80 -4.877008555e-05 -4.877008555e-05 5.82 -4.204320183e-05 -4.204320183e-05 5.84 -3.626859832e-05 -3.626859832e-05 5.86 -3.130809426e-05 -3.130809426e-05 5.88 -2.704402390e-05 -2.704402390e-05 5.90 -2.337612839e-05 -2.337612839e-05 5.92 -2.021892637e-05 -2.021892637e-05 5.94 -1.749948873e-05 -1.749948873e-05 5.96 -1.515555453e-05 -1.515555453e-05 5.98 -1.313393533e-05 -1.313393533e-05 6.00 -1.138916282e-05 -1.138916282e-05