# 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 = MgTa2Ti # 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 4.221568632e+02 4.221568632e+02 1.30 3.917171471e+02 3.917171471e+02 1.32 3.635223843e+02 3.635223843e+02 1.34 3.373914889e+02 3.373914889e+02 1.36 3.131609934e+02 3.131609934e+02 1.38 2.906831578e+02 2.906831578e+02 1.40 2.698240211e+02 2.698240211e+02 1.42 2.504615826e+02 2.504615826e+02 1.44 2.324840410e+02 2.324840410e+02 1.46 2.157879985e+02 2.157879985e+02 1.48 2.002767692e+02 2.002767692e+02 1.50 1.858592267e+02 1.858592267e+02 1.52 1.724495499e+02 1.724495499e+02 1.54 1.599678374e+02 1.599678374e+02 1.56 1.483411290e+02 1.483411290e+02 1.58 1.375040913e+02 1.375040913e+02 1.60 1.273988772e+02 1.273988772e+02 1.62 1.179742352e+02 1.179742352e+02 1.64 1.091842796e+02 1.091842796e+02 1.66 1.009872809e+02 1.009872809e+02 1.68 9.334470543e+01 9.334470543e+01 1.70 8.622060699e+01 8.622060699e+01 1.72 7.958131478e+01 7.958131478e+01 1.74 7.339525607e+01 7.339525607e+01 1.76 6.763278248e+01 6.763278248e+01 1.78 6.226599482e+01 6.226599482e+01 1.80 5.726861872e+01 5.726861872e+01 1.82 5.261594964e+01 5.261594964e+01 1.84 4.828482774e+01 4.828482774e+01 1.86 4.425404240e+01 4.425404240e+01 1.88 4.051045165e+01 4.051045165e+01 1.90 3.703698350e+01 3.703698350e+01 1.92 3.381506990e+01 3.381506990e+01 1.94 3.082710484e+01 3.082710484e+01 1.96 2.805593259e+01 2.805593259e+01 1.98 2.548525090e+01 2.548525090e+01 2.00 2.309962997e+01 2.309962997e+01 2.02 2.088461029e+01 2.088461029e+01 2.04 1.882688201e+01 1.882688201e+01 2.06 1.691442520e+01 1.691442520e+01 2.08 1.513656112e+01 1.513656112e+01 2.10 1.348389538e+01 1.348389538e+01 2.12 1.194816598e+01 1.194816598e+01 2.14 1.052203751e+01 1.052203751e+01 2.16 9.198888199e+00 9.198888199e+00 2.18 7.972622731e+00 7.972622731e+00 2.20 6.837526111e+00 6.837526111e+00 2.22 5.788154829e+00 5.788154829e+00 2.24 4.819262334e+00 4.819262334e+00 2.26 3.925753299e+00 3.925753299e+00 2.28 3.102660832e+00 3.102660832e+00 2.30 2.345142816e+00 2.345142816e+00 2.32 1.648487828e+00 1.648487828e+00 2.34 1.008135980e+00 1.008135980e+00 2.36 4.197120181e-01 4.197120181e-01 2.38 -1.209284256e-01 -1.209284256e-01 2.40 -6.176496914e-01 -6.176496914e-01 2.42 -1.073996651e+00 -1.073996651e+00 2.44 -1.493173548e+00 -1.493173548e+00 2.46 -1.878046744e+00 -1.878046744e+00 2.48 -2.231167384e+00 -2.231167384e+00 2.50 -2.554807681e+00 -2.554807681e+00 2.52 -2.851002380e+00 -2.851002380e+00 2.54 -3.121588473e+00 -3.121588473e+00 2.56 -3.368148048e+00 -3.368148048e+00 2.58 -3.592119167e+00 -3.592119167e+00 2.60 -3.795116267e+00 -3.795116267e+00 2.62 -3.978624177e+00 -3.978624177e+00 2.64 -4.144008373e+00 -4.144008373e+00 2.66 -4.292529941e+00 -4.292529941e+00 2.68 -4.425357546e+00 -4.425357546e+00 2.70 -4.543574622e+00 -4.543574622e+00 2.72 -4.648166845e+00 -4.648166845e+00 2.74 -4.739791925e+00 -4.739791925e+00 2.76 -4.818902050e+00 -4.818902050e+00 2.78 -4.885961163e+00 -4.885961163e+00 2.80 -4.941439890e+00 -4.941439890e+00 2.82 -4.985807395e+00 -4.985807395e+00 2.84 -5.019528540e+00 -5.019528540e+00 2.86 -5.043073405e+00 -5.043073405e+00 2.88 -5.056934286e+00 -5.056934286e+00 2.90 -5.061529409e+00 -5.061529409e+00 2.92 -5.057273676e+00 -5.057273676e+00 2.94 -5.044588059e+00 -5.044588059e+00 2.96 -5.023898601e+00 -5.023898601e+00 2.98 -4.995635309e+00 -4.995635309e+00 3.00 -4.960230448e+00 -4.960230448e+00 3.02 -4.918115342e+00 -4.918115342e+00 3.04 -4.869712551e+00 -4.869712551e+00 3.06 -4.815384893e+00 -4.815384893e+00 3.08 -4.755437944e+00 -4.755437944e+00 3.10 -4.690164687e+00 -4.690164687e+00 3.12 -4.619844571e+00 -4.619844571e+00 3.14 -4.544748690e+00 -4.544748690e+00 3.16 -4.465148393e+00 -4.465148393e+00 3.18 -4.381331016e+00 -4.381331016e+00 3.20 -4.293615376e+00 -4.293615376e+00 3.22 -4.202366029e+00 -4.202366029e+00 3.24 -4.108003415e+00 -4.108003415e+00 3.26 -4.011007888e+00 -4.011007888e+00 3.28 -3.911916251e+00 -3.911916251e+00 3.30 -3.811310299e+00 -3.811310299e+00 3.32 -3.709797956e+00 -3.709797956e+00 3.34 -3.607988787e+00 -3.607988787e+00 3.36 -3.506466695e+00 -3.506466695e+00 3.38 -3.405763226e+00 -3.405763226e+00 3.40 -3.306334742e+00 -3.306334742e+00 3.42 -3.208546325e+00 -3.208546325e+00 3.44 -3.112663179e+00 -3.112663179e+00 3.46 -3.018850576e+00 -3.018850576e+00 3.48 -2.927180639e+00 -2.927180639e+00 3.50 -2.837644500e+00 -2.837644500e+00 3.52 -2.750167652e+00 -2.750167652e+00 3.54 -2.664626483e+00 -2.664626483e+00 3.56 -2.580864356e+00 -2.580864356e+00 3.58 -2.498706226e+00 -2.498706226e+00 3.60 -2.417971424e+00 -2.417971424e+00 3.62 -2.338491820e+00 -2.338491820e+00 3.64 -2.260130321e+00 -2.260130321e+00 3.66 -2.182713014e+00 -2.182713014e+00 3.68 -2.106093605e+00 -2.106093605e+00 3.70 -2.030169446e+00 -2.030169446e+00 3.72 -1.954887865e+00 -1.954887865e+00 3.74 -1.880217833e+00 -1.880217833e+00 3.76 -1.806064337e+00 -1.806064337e+00 3.78 -1.732379844e+00 -1.732379844e+00 3.80 -1.659198406e+00 -1.659198406e+00 3.82 -1.586632687e+00 -1.586632687e+00 3.84 -1.514866376e+00 -1.514866376e+00 3.86 -1.444141888e+00 -1.444141888e+00 3.88 -1.374743997e+00 -1.374743997e+00 3.90 -1.306980625e+00 -1.306980625e+00 3.92 -1.241162376e+00 -1.241162376e+00 3.94 -1.177583491e+00 -1.177583491e+00 3.96 -1.116504009e+00 -1.116504009e+00 3.98 -1.058137262e+00 -1.058137262e+00 4.00 -1.002641330e+00 -1.002641330e+00 4.02 -9.501154948e-01 -9.501154948e-01 4.04 -9.006010804e-01 -9.006010804e-01 4.06 -8.540858563e-01 -8.540858563e-01 4.08 -8.105109472e-01 -8.105109472e-01 4.10 -7.697787335e-01 -7.697787335e-01 4.12 -7.317636095e-01 -7.317636095e-01 4.14 -6.963175592e-01 -6.963175592e-01 4.16 -6.632800985e-01 -6.632800985e-01 4.18 -6.324844233e-01 -6.324844233e-01 4.20 -6.037628974e-01 -6.037628974e-01 4.22 -5.769513160e-01 -5.769513160e-01 4.24 -5.518920349e-01 -5.518920349e-01 4.26 -5.284361111e-01 -5.284361111e-01 4.28 -5.064446195e-01 -5.064446195e-01 4.30 -4.857893144e-01 -4.857893144e-01 4.32 -4.663527878e-01 -4.663527878e-01 4.34 -4.480282623e-01 -4.480282623e-01 4.36 -4.307191285e-01 -4.307191285e-01 4.38 -4.143383183e-01 -4.143383183e-01 4.40 -3.988075847e-01 -3.988075847e-01 4.42 -3.840567378e-01 -3.840567378e-01 4.44 -3.700228788e-01 -3.700228788e-01 4.46 -3.566496536e-01 -3.566496536e-01 4.48 -3.438865470e-01 -3.438865470e-01 4.50 -3.316882250e-01 -3.316882250e-01 4.52 -3.200139318e-01 -3.200139318e-01 4.54 -3.088269427e-01 -3.088269427e-01 4.56 -2.980940724e-01 -2.980940724e-01 4.58 -2.877852371e-01 -2.877852371e-01 4.60 -2.778730666e-01 -2.778730666e-01 4.62 -2.683325641e-01 -2.683325641e-01 4.64 -2.591408106e-01 -2.591408106e-01 4.66 -2.502767111e-01 -2.502767111e-01 4.68 -2.417207803e-01 -2.417207803e-01 4.70 -2.334549663e-01 -2.334549663e-01 4.72 -2.254625112e-01 -2.254625112e-01 4.74 -2.177278477e-01 -2.177278477e-01 4.76 -2.102365308e-01 -2.102365308e-01 4.78 -2.029752058e-01 -2.029752058e-01 4.80 -1.959313656e-01 -1.959313656e-01 4.82 -1.890943944e-01 -1.890943944e-01 4.84 -1.824540361e-01 -1.824540361e-01 4.86 -1.760015800e-01 -1.760015800e-01 4.88 -1.697296232e-01 -1.697296232e-01 4.90 -1.636322082e-01 -1.636322082e-01 4.92 -1.577048469e-01 -1.577048469e-01 4.94 -1.519445153e-01 -1.519445153e-01 4.96 -1.463495848e-01 -1.463495848e-01 4.98 -1.409196803e-01 -1.409196803e-01 5.00 -1.356554522e-01 -1.356554522e-01 5.02 -1.305582638e-01 -1.305582638e-01 5.04 -1.256298137e-01 -1.256298137e-01 5.06 -1.208717235e-01 -1.208717235e-01 5.08 -1.162849697e-01 -1.162849697e-01 5.10 -1.118692487e-01 -1.118692487e-01 5.12 -1.076240656e-01 -1.076240656e-01 5.14 -1.035476162e-01 -1.035476162e-01 5.16 -9.963660580e-02 -9.963660580e-02 5.18 -9.588632004e-02 -9.588632004e-02 5.20 -9.229078922e-02 -9.229078922e-02 5.22 -8.884301703e-02 -8.884301703e-02 5.24 -8.553524162e-02 -8.553524162e-02 5.26 -8.235920101e-02 -8.235920101e-02 5.28 -7.930638096e-02 -7.930638096e-02 5.30 -7.636823065e-02 -7.636823065e-02 5.32 -7.353633871e-02 -7.353633871e-02 5.34 -7.080256752e-02 -7.080256752e-02 5.36 -6.815914826e-02 -6.815914826e-02 5.38 -6.559874119e-02 -6.559874119e-02 5.40 -6.311446749e-02 -6.311446749e-02 5.42 -6.069991921e-02 -6.069991921e-02 5.44 -5.834915422e-02 -5.834915422e-02 5.46 -5.605668292e-02 -5.605668292e-02 5.48 -5.381745331e-02 -5.381745331e-02 5.50 -5.162684067e-02 -5.162684067e-02 5.52 -4.948064547e-02 -4.948064547e-02 5.54 -4.737510787e-02 -4.737510787e-02 5.56 -4.530693859e-02 -4.530693859e-02 5.58 -4.327336752e-02 -4.327336752e-02 5.60 -4.127220831e-02 -4.127220831e-02 5.62 -3.930193419e-02 -3.930193419e-02 5.64 -3.736175761e-02 -3.736175761e-02 5.66 -3.545170372e-02 -3.545170372e-02 5.68 -3.357266616e-02 -3.357266616e-02 5.70 -3.172643559e-02 -3.172643559e-02 5.72 -2.991568434e-02 -2.991568434e-02 5.74 -2.814390257e-02 -2.814390257e-02 5.76 -2.641528098e-02 -2.641528098e-02 5.78 -2.473454007e-02 -2.473454007e-02 5.80 -2.310671304e-02 -2.310671304e-02 5.82 -2.153689496e-02 -2.153689496e-02 5.84 -2.002997628e-02 -2.002997628e-02 5.86 -1.859038139e-02 -1.859038139e-02 5.88 -1.722179999e-02 -1.722179999e-02 5.90 -1.592691482e-02 -1.592691482e-02 5.92 -1.470758565e-02 -1.470758565e-02 5.94 -1.356460007e-02 -1.356460007e-02 5.96 -1.249764482e-02 -1.249764482e-02 5.98 -1.150536999e-02 -1.150536999e-02 6.00 -1.058550285e-02 -1.058550285e-02