# 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 = AgFeTi2 # 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 2.542543151e+02 2.542543151e+02 1.30 2.344902903e+02 2.344902903e+02 1.32 2.162662613e+02 2.162662613e+02 1.34 1.994516926e+02 1.994516926e+02 1.36 1.839279224e+02 1.839279224e+02 1.38 1.695884006e+02 1.695884006e+02 1.40 1.563374496e+02 1.563374496e+02 1.42 1.440885338e+02 1.440885338e+02 1.44 1.327631444e+02 1.327631444e+02 1.46 1.222902454e+02 1.222902454e+02 1.48 1.126055755e+02 1.126055755e+02 1.50 1.036505988e+02 1.036505988e+02 1.52 9.537135954e+01 9.537135954e+01 1.54 8.771755513e+01 8.771755513e+01 1.56 8.064205594e+01 8.064205594e+01 1.58 7.410080476e+01 7.410080476e+01 1.60 6.805282219e+01 6.805282219e+01 1.62 6.246016329e+01 6.246016329e+01 1.64 5.728778187e+01 5.728778187e+01 1.66 5.250325514e+01 5.250325514e+01 1.68 4.807643707e+01 4.807643707e+01 1.70 4.397925131e+01 4.397925131e+01 1.72 4.018573809e+01 4.018573809e+01 1.74 3.667227806e+01 3.667227806e+01 1.76 3.341789503e+01 3.341789503e+01 1.78 3.040398714e+01 3.040398714e+01 1.80 2.761388679e+01 2.761388679e+01 1.82 2.503151775e+01 2.503151775e+01 1.84 2.264214522e+01 2.264214522e+01 1.86 2.043220410e+01 2.043220410e+01 1.88 1.838910975e+01 1.838910975e+01 1.90 1.650107309e+01 1.650107309e+01 1.92 1.475695220e+01 1.475695220e+01 1.94 1.314617481e+01 1.314617481e+01 1.96 1.165874537e+01 1.165874537e+01 1.98 1.028530737e+01 1.028530737e+01 2.00 9.017194885e+00 9.017194885e+00 2.02 7.846427074e+00 7.846427074e+00 2.04 6.765657844e+00 6.765657844e+00 2.06 5.768124893e+00 5.768124893e+00 2.08 4.847626366e+00 4.847626366e+00 2.10 3.998515587e+00 3.998515587e+00 2.12 3.215682750e+00 3.215682750e+00 2.14 2.494503299e+00 2.494503299e+00 2.16 1.830759492e+00 1.830759492e+00 2.18 1.220555291e+00 1.220555291e+00 2.20 6.602421428e-01 6.602421428e-01 2.22 1.463626244e-01 1.463626244e-01 2.24 -3.243845166e-01 -3.243845166e-01 2.26 -7.551562023e-01 -7.551562023e-01 2.28 -1.148955126e+00 -1.148955126e+00 2.30 -1.508604401e+00 -1.508604401e+00 2.32 -1.836720143e+00 -1.836720143e+00 2.34 -2.135690464e+00 -2.135690464e+00 2.36 -2.407670382e+00 -2.407670382e+00 2.38 -2.654594378e+00 -2.654594378e+00 2.40 -2.878205220e+00 -2.878205220e+00 2.42 -3.080091699e+00 -3.080091699e+00 2.44 -3.261725697e+00 -3.261725697e+00 2.46 -3.424492467e+00 -3.424492467e+00 2.48 -3.569711124e+00 -3.569711124e+00 2.50 -3.698645734e+00 -3.698645734e+00 2.52 -3.812508363e+00 -3.812508363e+00 2.54 -3.912456259e+00 -3.912456259e+00 2.56 -3.999611265e+00 -3.999611265e+00 2.58 -4.075105057e+00 -4.075105057e+00 2.60 -4.139783846e+00 -4.139783846e+00 2.62 -4.194421191e+00 -4.194421191e+00 2.64 -4.239748324e+00 -4.239748324e+00 2.66 -4.276446692e+00 -4.276446692e+00 2.68 -4.305143037e+00 -4.305143037e+00 2.70 -4.326407051e+00 -4.326407051e+00 2.72 -4.340691583e+00 -4.340691583e+00 2.74 -4.348201838e+00 -4.348201838e+00 2.76 -4.349116649e+00 -4.349116649e+00 2.78 -4.343640774e+00 -4.343640774e+00 2.80 -4.332001457e+00 -4.332001457e+00 2.82 -4.314449023e+00 -4.314449023e+00 2.84 -4.291252755e+00 -4.291252755e+00 2.86 -4.262700009e+00 -4.262700009e+00 2.88 -4.229101651e+00 -4.229101651e+00 2.90 -4.190790864e+00 -4.190790864e+00 2.92 -4.148120204e+00 -4.148120204e+00 2.94 -4.101500722e+00 -4.101500722e+00 2.96 -4.051379154e+00 -4.051379154e+00 2.98 -3.998019431e+00 -3.998019431e+00 3.00 -3.941663739e+00 -3.941663739e+00 3.02 -3.882509708e+00 -3.882509708e+00 3.04 -3.820785632e+00 -3.820785632e+00 3.06 -3.756747285e+00 -3.756747285e+00 3.08 -3.690661829e+00 -3.690661829e+00 3.10 -3.622796000e+00 -3.622796000e+00 3.12 -3.553408391e+00 -3.553408391e+00 3.14 -3.482736334e+00 -3.482736334e+00 3.16 -3.410995106e+00 -3.410995106e+00 3.18 -3.338383744e+00 -3.338383744e+00 3.20 -3.265092474e+00 -3.265092474e+00 3.22 -3.191309809e+00 -3.191309809e+00 3.24 -3.117227524e+00 -3.117227524e+00 3.26 -3.043042589e+00 -3.043042589e+00 3.28 -2.968955954e+00 -2.968955954e+00 3.30 -2.895168666e+00 -2.895168666e+00 3.32 -2.821876206e+00 -2.821876206e+00 3.34 -2.749262173e+00 -2.749262173e+00 3.36 -2.677492433e+00 -2.677492433e+00 3.38 -2.606710735e+00 -2.606710735e+00 3.40 -2.537036461e+00 -2.537036461e+00 3.42 -2.468565000e+00 -2.468565000e+00 3.44 -2.401370154e+00 -2.401370154e+00 3.46 -2.335508717e+00 -2.335508717e+00 3.48 -2.271025842e+00 -2.271025842e+00 3.50 -2.207960300e+00 -2.207960300e+00 3.52 -2.146348493e+00 -2.146348493e+00 3.54 -2.086226274e+00 -2.086226274e+00 3.56 -2.027628171e+00 -2.027628171e+00 3.58 -1.970584268e+00 -1.970584268e+00 3.60 -1.915115716e+00 -1.915115716e+00 3.62 -1.861230226e+00 -1.861230226e+00 3.64 -1.808918886e+00 -1.808918886e+00 3.66 -1.758155147e+00 -1.758155147e+00 3.68 -1.708896138e+00 -1.708896138e+00 3.70 -1.661085814e+00 -1.661085814e+00 3.72 -1.614659142e+00 -1.614659142e+00 3.74 -1.569546468e+00 -1.569546468e+00 3.76 -1.525677422e+00 -1.525677422e+00 3.78 -1.482984023e+00 -1.482984023e+00 3.80 -1.441402854e+00 -1.441402854e+00 3.82 -1.400876394e+00 -1.400876394e+00 3.84 -1.361353624e+00 -1.361353624e+00 3.86 -1.322790111e+00 -1.322790111e+00 3.88 -1.285147690e+00 -1.285147690e+00 3.90 -1.248393897e+00 -1.248393897e+00 3.92 -1.212501196e+00 -1.212501196e+00 3.94 -1.177446395e+00 -1.177446395e+00 3.96 -1.143209505e+00 -1.143209505e+00 3.98 -1.109773202e+00 -1.109773202e+00 4.00 -1.077122071e+00 -1.077122071e+00 4.02 -1.045241998e+00 -1.045241998e+00 4.04 -1.014119690e+00 -1.014119690e+00 4.06 -9.837423115e-01 -9.837423115e-01 4.08 -9.540972413e-01 -9.540972413e-01 4.10 -9.251718290e-01 -9.251718290e-01 4.12 -8.969539319e-01 -8.969539319e-01 4.14 -8.694311408e-01 -8.694311408e-01 4.16 -8.425915505e-01 -8.425915505e-01 4.18 -8.164238134e-01 -8.164238134e-01 4.20 -7.909173743e-01 -7.909173743e-01 4.22 -7.660626908e-01 -7.660626908e-01 4.24 -7.418514002e-01 -7.418514002e-01 4.26 -7.182763960e-01 -7.182763960e-01 4.28 -6.953317811e-01 -6.953317811e-01 4.30 -6.730126782e-01 -6.730126782e-01 4.32 -6.513148944e-01 -6.513148944e-01 4.34 -6.302344600e-01 -6.302344600e-01 4.36 -6.097670824e-01 -6.097670824e-01 4.38 -5.899075735e-01 -5.899075735e-01 4.40 -5.706493147e-01 -5.706493147e-01 4.42 -5.519838218e-01 -5.519838218e-01 4.44 -5.339004540e-01 -5.339004540e-01 4.46 -5.163862912e-01 -5.163862912e-01 4.48 -4.994261753e-01 -4.994261753e-01 4.50 -4.830028948e-01 -4.830028948e-01 4.52 -4.670974734e-01 -4.670974734e-01 4.54 -4.516895200e-01 -4.516895200e-01 4.56 -4.367576012e-01 -4.367576012e-01 4.58 -4.222796030e-01 -4.222796030e-01 4.60 -4.082330613e-01 -4.082330613e-01 4.62 -3.945954506e-01 -3.945954506e-01 4.64 -3.813444301e-01 -3.813444301e-01 4.66 -3.684580551e-01 -3.684580551e-01 4.68 -3.559149638e-01 -3.559149638e-01 4.70 -3.436945541e-01 -3.436945541e-01 4.72 -3.317771643e-01 -3.317771643e-01 4.74 -3.201442708e-01 -3.201442708e-01 4.76 -3.087787123e-01 -3.087787123e-01 4.78 -2.976649486e-01 -2.976649486e-01 4.80 -2.867892694e-01 -2.867892694e-01 4.82 -2.761404621e-01 -2.761404621e-01 4.84 -2.657096052e-01 -2.657096052e-01 4.86 -2.554907755e-01 -2.554907755e-01 4.88 -2.454812373e-01 -2.454812373e-01 4.90 -2.356816517e-01 -2.356816517e-01 4.92 -2.260961619e-01 -2.260961619e-01 4.94 -2.167323098e-01 -2.167323098e-01 4.96 -2.076007466e-01 -2.076007466e-01 4.98 -1.987147149e-01 -1.987147149e-01 5.00 -1.900893053e-01 -1.900893053e-01 5.02 -1.817405184e-01 -1.817405184e-01 5.04 -1.736841948e-01 -1.736841948e-01 5.06 -1.659349011e-01 -1.659349011e-01 5.08 -1.585048734e-01 -1.585048734e-01 5.10 -1.514031192e-01 -1.514031192e-01 5.12 -1.446347579e-01 -1.446347579e-01 5.14 -1.382006575e-01 -1.382006575e-01 5.16 -1.320973731e-01 -1.320973731e-01 5.18 -1.263173662e-01 -1.263173662e-01 5.20 -1.208491316e-01 -1.208491316e-01 5.22 -1.156783395e-01 -1.156783395e-01 5.24 -1.107887293e-01 -1.107887293e-01 5.26 -1.061622299e-01 -1.061622299e-01 5.28 -1.017796628e-01 -1.017796628e-01 5.30 -9.762135745e-02 -9.762135745e-02 5.32 -9.366765656e-02 -9.366765656e-02 5.34 -8.989930920e-02 -8.989930920e-02 5.36 -8.629775865e-02 -8.629775865e-02 5.38 -8.284533928e-02 -8.284533928e-02 5.40 -7.952540035e-02 -7.952540035e-02 5.42 -7.632237568e-02 -7.632237568e-02 5.44 -7.322181680e-02 -7.322181680e-02 5.46 -7.021040590e-02 -7.021040590e-02 5.48 -6.727596194e-02 -6.727596194e-02 5.50 -6.440745083e-02 -6.440745083e-02 5.52 -6.159500797e-02 -6.159500797e-02 5.54 -5.882997819e-02 -5.882997819e-02 5.56 -5.610497572e-02 -5.610497572e-02 5.58 -5.341396322e-02 -5.341396322e-02 5.60 -5.075234596e-02 -5.075234596e-02 5.62 -4.811707359e-02 -4.811707359e-02 5.64 -4.550673856e-02 -4.550673856e-02 5.66 -4.292165695e-02 -4.292165695e-02 5.68 -4.036391552e-02 -4.036391552e-02 5.70 -3.783736732e-02 -3.783736732e-02 5.72 -3.534755963e-02 -3.534755963e-02 5.74 -3.290158120e-02 -3.290158120e-02 5.76 -3.050782204e-02 -3.050782204e-02 5.78 -2.817564804e-02 -2.817564804e-02 5.80 -2.591499865e-02 -2.591499865e-02 5.82 -2.373593372e-02 -2.373593372e-02 5.84 -2.164815755e-02 -2.164815755e-02 5.86 -1.966055425e-02 -1.966055425e-02 5.88 -1.778077075e-02 -1.778077075e-02 5.90 -1.601487926e-02 -1.601487926e-02 5.92 -1.436700046e-02 -1.436700046e-02 5.94 -1.283913440e-02 -1.283913440e-02 5.96 -1.143191932e-02 -1.143191932e-02 5.98 -1.014411725e-02 -1.014411725e-02 6.00 -8.972764997e-03 -8.972764997e-03