# 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 = AlCu2Fe # 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 1.085463761e+02 1.085463761e+02 1.30 9.963784216e+01 9.963784216e+01 1.32 9.143740886e+01 9.143740886e+01 1.34 8.388191838e+01 8.388191838e+01 1.36 7.691553992e+01 7.691553992e+01 1.38 7.049037930e+01 7.049037930e+01 1.40 6.456494905e+01 6.456494905e+01 1.42 5.910182723e+01 5.910182723e+01 1.44 5.406554610e+01 5.406554610e+01 1.46 4.942151399e+01 4.942151399e+01 1.48 4.513644300e+01 4.513644300e+01 1.50 4.117976677e+01 4.117976677e+01 1.52 3.752472978e+01 3.752472978e+01 1.54 3.414823582e+01 3.414823582e+01 1.56 3.102979978e+01 3.102979978e+01 1.58 2.815094544e+01 2.815094544e+01 1.60 2.549612177e+01 2.549612177e+01 1.62 2.304954936e+01 2.304954936e+01 1.64 2.079626275e+01 2.079626275e+01 1.66 1.872224625e+01 1.872224625e+01 1.68 1.681406481e+01 1.681406481e+01 1.70 1.505869428e+01 1.505869428e+01 1.72 1.344357232e+01 1.344357232e+01 1.74 1.195676718e+01 1.195676718e+01 1.76 1.058719892e+01 1.058719892e+01 1.78 9.324871013e+00 9.324871013e+00 1.80 8.161034128e+00 8.161034128e+00 1.82 7.088198279e+00 7.088198279e+00 1.84 6.099964534e+00 6.099964534e+00 1.86 5.190724404e+00 5.190724404e+00 1.88 4.355320656e+00 4.355320656e+00 1.90 3.588758618e+00 3.588758618e+00 1.92 2.886027021e+00 2.886027021e+00 1.94 2.242057701e+00 2.242057701e+00 1.96 1.651818444e+00 1.651818444e+00 1.98 1.110490912e+00 1.110490912e+00 2.00 6.136591721e-01 6.136591721e-01 2.02 1.574432856e-01 1.574432856e-01 2.04 -2.614563605e-01 -2.614563605e-01 2.06 -6.458046703e-01 -6.458046703e-01 2.08 -9.979403532e-01 -9.979403532e-01 2.10 -1.319905930e+00 -1.319905930e+00 2.12 -1.613563148e+00 -1.613563148e+00 2.14 -1.880675647e+00 -1.880675647e+00 2.16 -2.122957264e+00 -2.122957264e+00 2.18 -2.342092666e+00 -2.342092666e+00 2.20 -2.539738419e+00 -2.539738419e+00 2.22 -2.717512100e+00 -2.717512100e+00 2.24 -2.876976624e+00 -2.876976624e+00 2.26 -3.019626552e+00 -3.019626552e+00 2.28 -3.146880353e+00 -3.146880353e+00 2.30 -3.260076326e+00 -3.260076326e+00 2.32 -3.360464314e+00 -3.360464314e+00 2.34 -3.449185891e+00 -3.449185891e+00 2.36 -3.527245549e+00 -3.527245549e+00 2.38 -3.595486001e+00 -3.595486001e+00 2.40 -3.654583197e+00 -3.654583197e+00 2.42 -3.705067935e+00 -3.705067935e+00 2.44 -3.747368317e+00 -3.747368317e+00 2.46 -3.781859689e+00 -3.781859689e+00 2.48 -3.808981054e+00 -3.808981054e+00 2.50 -3.829886528e+00 -3.829886528e+00 2.52 -3.845327774e+00 -3.845327774e+00 2.54 -3.855186718e+00 -3.855186718e+00 2.56 -3.859261848e+00 -3.859261848e+00 2.58 -3.857523561e+00 -3.857523561e+00 2.60 -3.850086824e+00 -3.850086824e+00 2.62 -3.837183114e+00 -3.837183114e+00 2.64 -3.819132201e+00 -3.819132201e+00 2.66 -3.796331212e+00 -3.796331212e+00 2.68 -3.769239603e+00 -3.769239603e+00 2.70 -3.738253479e+00 -3.738253479e+00 2.72 -3.703730921e+00 -3.703730921e+00 2.74 -3.665999906e+00 -3.665999906e+00 2.76 -3.625350359e+00 -3.625350359e+00 2.78 -3.582029093e+00 -3.582029093e+00 2.80 -3.536238637e+00 -3.536238637e+00 2.82 -3.488141107e+00 -3.488141107e+00 2.84 -3.437866937e+00 -3.437866937e+00 2.86 -3.385526398e+00 -3.385526398e+00 2.88 -3.331221327e+00 -3.331221327e+00 2.90 -3.275055047e+00 -3.275055047e+00 2.92 -3.217139823e+00 -3.217139823e+00 2.94 -3.157602255e+00 -3.157602255e+00 2.96 -3.096587505e+00 -3.096587505e+00 2.98 -3.034262865e+00 -3.034262865e+00 3.00 -2.970820382e+00 -2.970820382e+00 3.02 -2.906477411e+00 -2.906477411e+00 3.04 -2.841473587e+00 -2.841473587e+00 3.06 -2.776063237e+00 -2.776063237e+00 3.08 -2.710503412e+00 -2.710503412e+00 3.10 -2.645039567e+00 -2.645039567e+00 3.12 -2.579891912e+00 -2.579891912e+00 3.14 -2.515245709e+00 -2.515245709e+00 3.16 -2.451247504e+00 -2.451247504e+00 3.18 -2.388007710e+00 -2.388007710e+00 3.20 -2.325607999e+00 -2.325607999e+00 3.22 -2.264111118e+00 -2.264111118e+00 3.24 -2.203570597e+00 -2.203570597e+00 3.26 -2.144038424e+00 -2.144038424e+00 3.28 -2.085569582e+00 -2.085569582e+00 3.30 -2.028223289e+00 -2.028223289e+00 3.32 -1.972061386e+00 -1.972061386e+00 3.34 -1.917144778e+00 -1.917144778e+00 3.36 -1.863528981e+00 -1.863528981e+00 3.38 -1.811259739e+00 -1.811259739e+00 3.40 -1.760369479e+00 -1.760369479e+00 3.42 -1.710875090e+00 -1.710875090e+00 3.44 -1.662777108e+00 -1.662777108e+00 3.46 -1.616060265e+00 -1.616060265e+00 3.48 -1.570695071e+00 -1.570695071e+00 3.50 -1.526640069e+00 -1.526640069e+00 3.52 -1.483844432e+00 -1.483844432e+00 3.54 -1.442250593e+00 -1.442250593e+00 3.56 -1.401796727e+00 -1.401796727e+00 3.58 -1.362418974e+00 -1.362418974e+00 3.60 -1.324053391e+00 -1.324053391e+00 3.62 -1.286637660e+00 -1.286637660e+00 3.64 -1.250112624e+00 -1.250112624e+00 3.66 -1.214423717e+00 -1.214423717e+00 3.68 -1.179522331e+00 -1.179522331e+00 3.70 -1.145367138e+00 -1.145367138e+00 3.72 -1.111925310e+00 -1.111925310e+00 3.74 -1.079173517e+00 -1.079173517e+00 3.76 -1.047098539e+00 -1.047098539e+00 3.78 -1.015697273e+00 -1.015697273e+00 3.80 -9.849759481e-01 -9.849759481e-01 3.82 -9.549484130e-01 -9.549484130e-01 3.84 -9.256335151e-01 -9.256335151e-01 3.86 -8.970517435e-01 -8.970517435e-01 3.88 -8.692214871e-01 -8.692214871e-01 3.90 -8.421553718e-01 -8.421553718e-01 3.92 -8.158571498e-01 -8.158571498e-01 3.94 -7.903195539e-01 -7.903195539e-01 3.96 -7.655232710e-01 -7.655232710e-01 3.98 -7.414371230e-01 -7.414371230e-01 4.00 -7.180192240e-01 -7.180192240e-01 4.02 -6.952188620e-01 -6.952188620e-01 4.04 -6.729787912e-01 -6.729787912e-01 4.06 -6.512376692e-01 -6.512376692e-01 4.08 -6.299324498e-01 -6.299324498e-01 4.10 -6.090006218e-01 -6.090006218e-01 4.12 -5.883823213e-01 -5.883823213e-01 4.14 -5.680221988e-01 -5.680221988e-01 4.16 -5.478712683e-01 -5.478712683e-01 4.18 -5.278886143e-01 -5.278886143e-01 4.20 -5.080430132e-01 -5.080430132e-01 4.22 -4.883144098e-01 -4.883144098e-01 4.24 -4.686951582e-01 -4.686951582e-01 4.26 -4.491909085e-01 -4.491909085e-01 4.28 -4.298210044e-01 -4.298210044e-01 4.30 -4.106182743e-01 -4.106182743e-01 4.32 -3.916281314e-01 -3.916281314e-01 4.34 -3.729069581e-01 -3.729069581e-01 4.36 -3.545198124e-01 -3.545198124e-01 4.38 -3.365375565e-01 -3.365375565e-01 4.40 -3.190335597e-01 -3.190335597e-01 4.42 -3.020801647e-01 -3.020801647e-01 4.44 -2.857451293e-01 -2.857451293e-01 4.46 -2.700882707e-01 -2.700882707e-01 4.48 -2.551585353e-01 -2.551585353e-01 4.50 -2.409916993e-01 -2.409916993e-01 4.52 -2.276088635e-01 -2.276088635e-01 4.54 -2.150158368e-01 -2.150158368e-01 4.56 -2.032034200e-01 -2.032034200e-01 4.58 -1.921485159e-01 -1.921485159e-01 4.60 -1.818159092e-01 -1.818159092e-01 4.62 -1.721605052e-01 -1.721605052e-01 4.64 -1.631298151e-01 -1.631298151e-01 4.66 -1.546664929e-01 -1.546664929e-01 4.68 -1.467107604e-01 -1.467107604e-01 4.70 -1.392025799e-01 -1.392025799e-01 4.72 -1.320832927e-01 -1.320832927e-01 4.74 -1.252977066e-01 -1.252977066e-01 4.76 -1.187951195e-01 -1.187951195e-01 4.78 -1.125299709e-01 -1.125299709e-01 4.80 -1.064635053e-01 -1.064635053e-01 4.82 -1.005635256e-01 -1.005635256e-01 4.84 -9.480474868e-02 -9.480474868e-02 4.86 -8.916906716e-02 -8.916906716e-02 4.88 -8.364554588e-02 -8.364554588e-02 4.90 -7.823018821e-02 -7.823018821e-02 4.92 -7.292545671e-02 -7.292545671e-02 4.94 -6.773954413e-02 -6.773954413e-02 4.96 -6.268540547e-02 -6.268540547e-02 4.98 -5.777958329e-02 -5.777958329e-02 5.00 -5.304088317e-02 -5.304088317e-02 5.02 -4.848897794e-02 -4.848897794e-02 5.04 -4.414303425e-02 -4.414303425e-02 5.06 -4.002045736e-02 -4.002045736e-02 5.08 -3.613584052e-02 -3.613584052e-02 5.10 -3.250018315e-02 -3.250018315e-02 5.12 -2.912041259e-02 -2.912041259e-02 5.14 -2.599921195e-02 -2.599921195e-02 5.16 -2.313512754e-02 -2.313512754e-02 5.18 -2.052290507e-02 -2.052290507e-02 5.20 -1.815399430e-02 -1.815399430e-02 5.22 -1.601715679e-02 -1.601715679e-02 5.24 -1.409911335e-02 -1.409911335e-02 5.26 -1.238515883e-02 -1.238515883e-02 5.28 -1.085950963e-02 -1.085950963e-02 5.30 -9.506484421e-03 -9.506484421e-03 5.32 -8.310577221e-03 -8.310577221e-03 5.34 -7.256659403e-03 -7.256659403e-03 5.36 -6.330260996e-03 -6.330260996e-03 5.38 -5.517764882e-03 -5.517764882e-03 5.40 -4.806527550e-03 -4.806527550e-03 5.42 -4.184940520e-03 -4.184940520e-03 5.44 -3.642445716e-03 -3.642445716e-03 5.46 -3.169516652e-03 -3.169516652e-03 5.48 -2.757615479e-03 -2.757615479e-03 5.50 -2.399134082e-03 -2.399134082e-03 5.52 -2.087325724e-03 -2.087325724e-03 5.54 -1.816232152e-03 -1.816232152e-03 5.56 -1.580609811e-03 -1.580609811e-03 5.58 -1.375857733e-03 -1.375857733e-03 5.60 -1.197948831e-03 -1.197948831e-03 5.62 -1.043365672e-03 -1.043365672e-03 5.64 -9.090413244e-04 -9.090413244e-04 5.66 -7.923055078e-04 -7.923055078e-04 5.68 -6.908360365e-04 -6.908360365e-04 5.70 -6.026153666e-04 -6.026153666e-04 5.72 -5.258919565e-04 -5.258919565e-04 5.74 -4.591460865e-04 -4.591460865e-04 5.76 -4.010597513e-04 -4.010597513e-04 5.78 -3.504902379e-04 -3.504902379e-04 5.80 -3.064470035e-04 -3.064470035e-04 5.82 -2.680714950e-04 -2.680714950e-04 5.84 -2.346195689e-04 -2.346195689e-04 5.86 -2.054462042e-04 -2.054462042e-04 5.88 -1.799922277e-04 -1.799922277e-04 5.90 -1.577727981e-04 -1.577727981e-04 5.92 -1.383674280e-04 -1.383674280e-04 5.94 -1.214113410e-04 -1.214113410e-04 5.96 -1.065879917e-04 -1.065879917e-04 5.98 -9.362259500e-05 -9.362259500e-05 6.00 -8.227652769e-05 -8.227652769e-05