# 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 = AuCuFe2 # 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 2.010864465e+02 2.010864465e+02 1.30 1.842626813e+02 1.842626813e+02 1.32 1.688079711e+02 1.688079711e+02 1.34 1.546038965e+02 1.546038965e+02 1.36 1.415438833e+02 1.415438833e+02 1.38 1.295324412e+02 1.295324412e+02 1.40 1.184835457e+02 1.184835457e+02 1.42 1.083188485e+02 1.083188485e+02 1.44 9.896636328e+01 9.896636328e+01 1.46 9.035978966e+01 9.035978966e+01 1.48 8.243830638e+01 8.243830638e+01 1.50 7.514649719e+01 7.514649719e+01 1.52 6.843402596e+01 6.843402596e+01 1.54 6.225488235e+01 6.225488235e+01 1.56 5.656642688e+01 5.656642688e+01 1.58 5.132870570e+01 5.132870570e+01 1.60 4.650430445e+01 4.650430445e+01 1.62 4.205858826e+01 4.205858826e+01 1.64 3.796496142e+01 3.796496142e+01 1.66 3.420755692e+01 3.420755692e+01 1.68 3.076032246e+01 3.076032246e+01 1.70 2.759937351e+01 2.759937351e+01 1.72 2.470324317e+01 2.470324317e+01 1.74 2.205218577e+01 2.205218577e+01 1.76 1.962757851e+01 1.962757851e+01 1.78 1.741159610e+01 1.741159610e+01 1.80 1.538722544e+01 1.538722544e+01 1.82 1.353847949e+01 1.353847949e+01 1.84 1.185059838e+01 1.185059838e+01 1.86 1.031010991e+01 1.031010991e+01 1.88 8.904744011e+00 8.904744011e+00 1.90 7.623264199e+00 7.623264199e+00 1.92 6.455288044e+00 6.455288044e+00 1.94 5.391148799e+00 5.391148799e+00 1.96 4.421821045e+00 4.421821045e+00 1.98 3.538904813e+00 3.538904813e+00 2.00 2.734645500e+00 2.734645500e+00 2.02 2.001965080e+00 2.001965080e+00 2.04 1.334484814e+00 1.334484814e+00 2.06 7.265243645e-01 7.265243645e-01 2.08 1.730686810e-01 1.730686810e-01 2.10 -3.302961078e-01 -3.302961078e-01 2.12 -7.874677152e-01 -7.874677152e-01 2.14 -1.201919811e+00 -1.201919811e+00 2.16 -1.576789020e+00 -1.576789020e+00 2.18 -1.914949164e+00 -1.914949164e+00 2.20 -2.219070052e+00 -2.219070052e+00 2.22 -2.491661617e+00 -2.491661617e+00 2.24 -2.735105636e+00 -2.735105636e+00 2.26 -2.951676829e+00 -2.951676829e+00 2.28 -3.143553585e+00 -3.143553585e+00 2.30 -3.312817193e+00 -3.312817193e+00 2.32 -3.461438661e+00 -3.461438661e+00 2.34 -3.591255272e+00 -3.591255272e+00 2.36 -3.703944112e+00 -3.703944112e+00 2.38 -3.801003355e+00 -3.801003355e+00 2.40 -3.883750261e+00 -3.883750261e+00 2.42 -3.953337970e+00 -3.953337970e+00 2.44 -4.010785669e+00 -4.010785669e+00 2.46 -4.057013142e+00 -4.057013142e+00 2.48 -4.092871725e+00 -4.092871725e+00 2.50 -4.119233454e+00 -4.119233454e+00 2.52 -4.136887685e+00 -4.136887685e+00 2.54 -4.146743588e+00 -4.146743588e+00 2.56 -4.149270143e+00 -4.149270143e+00 2.58 -4.144796042e+00 -4.144796042e+00 2.60 -4.133717886e+00 -4.133717886e+00 2.62 -4.116475103e+00 -4.116475103e+00 2.64 -4.093524723e+00 -4.093524723e+00 2.66 -4.065316247e+00 -4.065316247e+00 2.68 -4.032302639e+00 -4.032302639e+00 2.70 -3.994721627e+00 -3.994721627e+00 2.72 -3.952624222e+00 -3.952624222e+00 2.74 -3.906108650e+00 -3.906108650e+00 2.76 -3.855318620e+00 -3.855318620e+00 2.78 -3.800433603e+00 -3.800433603e+00 2.80 -3.741662061e+00 -3.741662061e+00 2.82 -3.679237728e+00 -3.679237728e+00 2.84 -3.613417901e+00 -3.613417901e+00 2.86 -3.544481823e+00 -3.544481823e+00 2.88 -3.472727336e+00 -3.472727336e+00 2.90 -3.398464934e+00 -3.398464934e+00 2.92 -3.322009660e+00 -3.322009660e+00 2.94 -3.243672237e+00 -3.243672237e+00 2.96 -3.163751068e+00 -3.163751068e+00 2.98 -3.082526398e+00 -3.082526398e+00 3.00 -3.000257107e+00 -3.000257107e+00 3.02 -2.917179875e+00 -2.917179875e+00 3.04 -2.833509962e+00 -2.833509962e+00 3.06 -2.749442874e+00 -2.749442874e+00 3.08 -2.665156522e+00 -2.665156522e+00 3.10 -2.580814060e+00 -2.580814060e+00 3.12 -2.496567885e+00 -2.496567885e+00 3.14 -2.412565254e+00 -2.412565254e+00 3.16 -2.328955491e+00 -2.328955491e+00 3.18 -2.245898053e+00 -2.245898053e+00 3.20 -2.163570147e+00 -2.163570147e+00 3.22 -2.082172297e+00 -2.082172297e+00 3.24 -2.001930416e+00 -2.001930416e+00 3.26 -1.923093444e+00 -1.923093444e+00 3.28 -1.845926359e+00 -1.845926359e+00 3.30 -1.770699175e+00 -1.770699175e+00 3.32 -1.697673270e+00 -1.697673270e+00 3.34 -1.627086864e+00 -1.627086864e+00 3.36 -1.559141592e+00 -1.559141592e+00 3.38 -1.493991906e+00 -1.493991906e+00 3.40 -1.431738472e+00 -1.431738472e+00 3.42 -1.372426053e+00 -1.372426053e+00 3.44 -1.316045638e+00 -1.316045638e+00 3.46 -1.262540039e+00 -1.262540039e+00 3.48 -1.211811860e+00 -1.211811860e+00 3.50 -1.163732663e+00 -1.163732663e+00 3.52 -1.118152281e+00 -1.118152281e+00 3.54 -1.074907484e+00 -1.074907484e+00 3.56 -1.033829492e+00 -1.033829492e+00 3.58 -9.947501028e-01 -9.947501028e-01 3.60 -9.575064070e-01 -9.575064070e-01 3.62 -9.219442348e-01 -9.219442348e-01 3.64 -8.879205325e-01 -8.879205325e-01 3.66 -8.553049089e-01 -8.553049089e-01 3.68 -8.239805673e-01 -8.239805673e-01 3.70 -7.938447923e-01 -7.938447923e-01 3.72 -7.648091021e-01 -7.648091021e-01 3.74 -7.367991045e-01 -7.367991045e-01 3.76 -7.097540372e-01 -7.097540372e-01 3.78 -6.836259290e-01 -6.836259290e-01 3.80 -6.583783094e-01 -6.583783094e-01 3.82 -6.339844230e-01 -6.339844230e-01 3.84 -6.104249737e-01 -6.104249737e-01 3.86 -5.876855168e-01 -5.876855168e-01 3.88 -5.657537100e-01 -5.657537100e-01 3.90 -5.446166947e-01 -5.446166947e-01 3.92 -5.242588832e-01 -5.242588832e-01 3.94 -5.046603736e-01 -5.046603736e-01 3.96 -4.857960996e-01 -4.857960996e-01 3.98 -4.676357135e-01 -4.676357135e-01 4.00 -4.501440847e-01 -4.501440847e-01 4.02 -4.332822380e-01 -4.332822380e-01 4.04 -4.170085386e-01 -4.170085386e-01 4.06 -4.012797885e-01 -4.012797885e-01 4.08 -3.860526510e-01 -3.860526510e-01 4.10 -3.712850630e-01 -3.712850630e-01 4.12 -3.569366563e-01 -3.569366563e-01 4.14 -3.429696198e-01 -3.429696198e-01 4.16 -3.293494423e-01 -3.293494423e-01 4.18 -3.160455394e-01 -3.160455394e-01 4.20 -3.030317991e-01 -3.030317991e-01 4.22 -2.902870574e-01 -2.902870574e-01 4.24 -2.777954971e-01 -2.777954971e-01 4.26 -2.655469499e-01 -2.655469499e-01 4.28 -2.535370713e-01 -2.535370713e-01 4.30 -2.417673503e-01 -2.417673503e-01 4.32 -2.302449204e-01 -2.302449204e-01 4.34 -2.189821403e-01 -2.189821403e-01 4.36 -2.079959246e-01 -2.079959246e-01 4.38 -1.973068202e-01 -1.973068202e-01 4.40 -1.869378396e-01 -1.869378396e-01 4.42 -1.769130899e-01 -1.769130899e-01 4.44 -1.672562615e-01 -1.672562615e-01 4.46 -1.579890702e-01 -1.579890702e-01 4.48 -1.491296257e-01 -1.491296257e-01 4.50 -1.406914130e-01 -1.406914130e-01 4.52 -1.326823061e-01 -1.326823061e-01 4.54 -1.251037831e-01 -1.251037831e-01 4.56 -1.179508020e-01 -1.179508020e-01 4.58 -1.112121002e-01 -1.112121002e-01 4.60 -1.048708598e-01 -1.048708598e-01 4.62 -9.890564755e-02 -9.890564755e-02 4.64 -9.329152269e-02 -9.329152269e-02 4.66 -8.800120733e-02 -8.800120733e-02 4.68 -8.300623047e-02 -8.300623047e-02 4.70 -7.827798018e-02 -7.827798018e-02 4.72 -7.378862401e-02 -7.378862401e-02 4.74 -6.951188003e-02 -6.951188003e-02 4.76 -6.542363778e-02 -6.542363778e-02 4.78 -6.150243815e-02 -6.150243815e-02 4.80 -5.772982487e-02 -5.772982487e-02 4.82 -5.409058256e-02 -5.409058256e-02 4.84 -5.057286186e-02 -5.057286186e-02 4.86 -4.716820514e-02 -4.716820514e-02 4.88 -4.387146337e-02 -4.387146337e-02 4.90 -4.068060380e-02 -4.068060380e-02 4.92 -3.759640551e-02 -3.759640551e-02 4.94 -3.462204473e-02 -3.462204473e-02 4.96 -3.176258085e-02 -3.176258085e-02 4.98 -2.902436218e-02 -2.902436218e-02 5.00 -2.641438109e-02 -2.641438109e-02 5.02 -2.393962433e-02 -2.393962433e-02 5.04 -2.160645636e-02 -2.160645636e-02 5.06 -1.942008043e-02 -1.942008043e-02 5.08 -1.738411380e-02 -1.738411380e-02 5.10 -1.550006494e-02 -1.550006494e-02 5.12 -1.376731410e-02 -1.376731410e-02 5.14 -1.218393621e-02 -1.218393621e-02 5.16 -1.074603636e-02 -1.074603636e-02 5.18 -9.447972643e-03 -9.447972643e-03 5.20 -8.282676916e-03 -8.282676916e-03 5.22 -7.242005219e-03 -7.242005219e-03 5.24 -6.317088200e-03 -6.317088200e-03 5.26 -5.498658510e-03 -5.498658510e-03 5.28 -4.777339279e-03 -4.777339279e-03 5.30 -4.143884758e-03 -4.143884758e-03 5.32 -3.589370086e-03 -3.589370086e-03 5.34 -3.105331664e-03 -3.105331664e-03 5.36 -2.683862656e-03 -2.683862656e-03 5.38 -2.317669863e-03 -2.317669863e-03 5.40 -2.000098936e-03 -2.000098936e-03 5.42 -1.725134805e-03 -1.725134805e-03 5.44 -1.487383653e-03 -1.487383653e-03 5.46 -1.282041945e-03 -1.282041945e-03 5.48 -1.104857061e-03 -1.104857061e-03 5.50 -9.520831904e-04 -9.520831904e-04 5.52 -8.204352772e-04 -8.204352772e-04 5.54 -7.070430568e-04 -7.070430568e-04 5.56 -6.094066463e-04 -6.094066463e-04 5.58 -5.253546267e-04 -5.253546267e-04 5.60 -4.530051966e-04 -4.530051966e-04 5.62 -3.907306807e-04 -3.907306807e-04 5.64 -3.371254765e-04 -3.371254765e-04 5.66 -2.909773726e-04 -2.909773726e-04 5.68 -2.512420826e-04 -2.512420826e-04 5.70 -2.170207755e-04 -2.170207755e-04 5.72 -1.875403553e-04 -1.875403553e-04 5.74 -1.621362296e-04 -1.621362296e-04 5.76 -1.402373076e-04 -1.402373076e-04 5.78 -1.213529796e-04 -1.213529796e-04 5.80 -1.050618462e-04 -1.050618462e-04 5.82 -9.100198112e-05 -9.100198112e-05 5.84 -7.886253566e-05 -7.886253566e-05 5.86 -6.837650906e-05 -6.837650906e-05 5.88 -5.931453140e-05 -5.931453140e-05 5.90 -5.147952171e-05 -5.147952171e-05 5.92 -4.470210188e-05 -4.470210188e-05 5.94 -3.883666166e-05 -3.883666166e-05 5.96 -3.375798387e-05 -3.375798387e-05 5.98 -2.935835103e-05 -2.935835103e-05 6.00 -2.554506520e-05 -2.554506520e-05