# 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 = AgNiTi2 # 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 2.249775615e+02 2.249775615e+02 1.30 2.079282511e+02 2.079282511e+02 1.32 1.921781260e+02 1.921781260e+02 1.34 1.776189009e+02 1.776189009e+02 1.36 1.641522847e+02 1.641522847e+02 1.38 1.516904622e+02 1.516904622e+02 1.40 1.401546995e+02 1.401546995e+02 1.42 1.294734134e+02 1.294734134e+02 1.44 1.195809392e+02 1.195809392e+02 1.46 1.104169477e+02 1.104169477e+02 1.48 1.019259391e+02 1.019259391e+02 1.50 9.405671840e+01 9.405671840e+01 1.52 8.676202261e+01 8.676202261e+01 1.54 7.999830335e+01 7.999830335e+01 1.56 7.372554236e+01 7.372554236e+01 1.58 6.790698282e+01 6.790698282e+01 1.60 6.250880553e+01 6.250880553e+01 1.62 5.749989223e+01 5.749989223e+01 1.64 5.285165940e+01 5.285165940e+01 1.66 4.853777852e+01 4.853777852e+01 1.68 4.453377409e+01 4.453377409e+01 1.70 4.081673195e+01 4.081673195e+01 1.72 3.736527041e+01 3.736527041e+01 1.74 3.415976801e+01 3.415976801e+01 1.76 3.118254878e+01 3.118254878e+01 1.78 2.841769267e+01 2.841769267e+01 1.80 2.585116477e+01 2.585116477e+01 1.82 2.346918117e+01 2.346918117e+01 1.84 2.125917596e+01 2.125917596e+01 1.86 1.920967560e+01 1.920967560e+01 1.88 1.731005837e+01 1.731005837e+01 1.90 1.555030613e+01 1.555030613e+01 1.92 1.392082898e+01 1.392082898e+01 1.94 1.241241082e+01 1.241241082e+01 1.96 1.101627306e+01 1.101627306e+01 1.98 9.724197778e+00 9.724197778e+00 2.00 8.528618323e+00 8.528618323e+00 2.02 7.422618913e+00 7.422618913e+00 2.04 6.399859974e+00 6.399859974e+00 2.06 5.454490975e+00 5.454490975e+00 2.08 4.581098440e+00 4.581098440e+00 2.10 3.774691624e+00 3.774691624e+00 2.12 3.030695375e+00 3.030695375e+00 2.14 2.344922226e+00 2.344922226e+00 2.16 1.713519827e+00 1.713519827e+00 2.18 1.132906084e+00 1.132906084e+00 2.20 5.997065031e-01 5.997065031e-01 2.22 1.107019375e-01 1.107019375e-01 2.24 -3.372065048e-01 -3.372065048e-01 2.26 -7.470109136e-01 -7.470109136e-01 2.28 -1.121588780e+00 -1.121588780e+00 2.30 -1.463679984e+00 -1.463679984e+00 2.32 -1.775860022e+00 -1.775860022e+00 2.34 -2.060513723e+00 -2.060513723e+00 2.36 -2.319815142e+00 -2.319815142e+00 2.38 -2.555716831e+00 -2.555716831e+00 2.40 -2.769954643e+00 -2.769954643e+00 2.42 -2.964069890e+00 -2.964069890e+00 2.44 -3.139443839e+00 -3.139443839e+00 2.46 -3.297336232e+00 -3.297336232e+00 2.48 -3.438918827e+00 -3.438918827e+00 2.50 -3.565298817e+00 -3.565298817e+00 2.52 -3.677530833e+00 -3.677530833e+00 2.54 -3.776619678e+00 -3.776619678e+00 2.56 -3.863517967e+00 -3.863517967e+00 2.58 -3.939196924e+00 -3.939196924e+00 2.60 -4.004516325e+00 -4.004516325e+00 2.62 -4.060140075e+00 -4.060140075e+00 2.64 -4.106711116e+00 -4.106711116e+00 2.66 -4.144849921e+00 -4.144849921e+00 2.68 -4.175151545e+00 -4.175151545e+00 2.70 -4.198188098e+00 -4.198188098e+00 2.72 -4.214508979e+00 -4.214508979e+00 2.74 -4.224565941e+00 -4.224565941e+00 2.76 -4.228623517e+00 -4.228623517e+00 2.78 -4.226946936e+00 -4.226946936e+00 2.80 -4.219820505e+00 -4.219820505e+00 2.82 -4.207501475e+00 -4.207501475e+00 2.84 -4.190161514e+00 -4.190161514e+00 2.86 -4.167983712e+00 -4.167983712e+00 2.88 -4.141179176e+00 -4.141179176e+00 2.90 -4.109984283e+00 -4.109984283e+00 2.92 -4.074658114e+00 -4.074658114e+00 2.94 -4.035479685e+00 -4.035479685e+00 2.96 -3.992745409e+00 -3.992745409e+00 2.98 -3.946767302e+00 -3.946767302e+00 3.00 -3.897943548e+00 -3.897943548e+00 3.02 -3.846618971e+00 -3.846618971e+00 3.04 -3.793039202e+00 -3.793039202e+00 3.06 -3.737467341e+00 -3.737467341e+00 3.08 -3.680169966e+00 -3.680169966e+00 3.10 -3.621403481e+00 -3.621403481e+00 3.12 -3.561402649e+00 -3.561402649e+00 3.14 -3.500374397e+00 -3.500374397e+00 3.16 -3.438497038e+00 -3.438497038e+00 3.18 -3.375927978e+00 -3.375927978e+00 3.20 -3.312803921e+00 -3.312803921e+00 3.22 -3.249243560e+00 -3.249243560e+00 3.24 -3.185352595e+00 -3.185352595e+00 3.26 -3.121227394e+00 -3.121227394e+00 3.28 -3.056957299e+00 -3.056957299e+00 3.30 -2.992625864e+00 -2.992625864e+00 3.32 -2.928311396e+00 -2.928311396e+00 3.34 -2.864087161e+00 -2.864087161e+00 3.36 -2.800021566e+00 -2.800021566e+00 3.38 -2.736178575e+00 -2.736178575e+00 3.40 -2.672618517e+00 -2.672618517e+00 3.42 -2.609399574e+00 -2.609399574e+00 3.44 -2.546579491e+00 -2.546579491e+00 3.46 -2.484217985e+00 -2.484217985e+00 3.48 -2.422379007e+00 -2.422379007e+00 3.50 -2.361132518e+00 -2.361132518e+00 3.52 -2.300555108e+00 -2.300555108e+00 3.54 -2.240728873e+00 -2.240728873e+00 3.56 -2.181738309e+00 -2.181738309e+00 3.58 -2.123665490e+00 -2.123665490e+00 3.60 -2.066584389e+00 -2.066584389e+00 3.62 -2.010555537e+00 -2.010555537e+00 3.64 -1.955622203e+00 -1.955622203e+00 3.66 -1.901808865e+00 -1.901808865e+00 3.68 -1.849122102e+00 -1.849122102e+00 3.70 -1.797553475e+00 -1.797553475e+00 3.72 -1.747083633e+00 -1.747083633e+00 3.74 -1.697686834e+00 -1.697686834e+00 3.76 -1.649335223e+00 -1.649335223e+00 3.78 -1.602002431e+00 -1.602002431e+00 3.80 -1.555666276e+00 -1.555666276e+00 3.82 -1.510310458e+00 -1.510310458e+00 3.84 -1.465925245e+00 -1.465925245e+00 3.86 -1.422507207e+00 -1.422507207e+00 3.88 -1.380058103e+00 -1.380058103e+00 3.90 -1.338583122e+00 -1.338583122e+00 3.92 -1.298088688e+00 -1.298088688e+00 3.94 -1.258580450e+00 -1.258580450e+00 3.96 -1.220060966e+00 -1.220060966e+00 3.98 -1.182528416e+00 -1.182528416e+00 4.00 -1.145975637e+00 -1.145975637e+00 4.02 -1.110389845e+00 -1.110389845e+00 4.04 -1.075752900e+00 -1.075752900e+00 4.06 -1.042041983e+00 -1.042041983e+00 4.08 -1.009230506e+00 -1.009230506e+00 4.10 -9.772889964e-01 -9.772889964e-01 4.12 -9.461866123e-01 -9.461866123e-01 4.14 -9.158912696e-01 -9.158912696e-01 4.16 -8.863710450e-01 -8.863710450e-01 4.18 -8.575947677e-01 -8.575947677e-01 4.20 -8.295326767e-01 -8.295326767e-01 4.22 -8.021570081e-01 -8.021570081e-01 4.24 -7.754425206e-01 -7.754425206e-01 4.26 -7.493669613e-01 -7.493669613e-01 4.28 -7.239114661e-01 -7.239114661e-01 4.30 -6.990608812e-01 -6.990608812e-01 4.32 -6.748039913e-01 -6.748039913e-01 4.34 -6.511336358e-01 -6.511336358e-01 4.36 -6.280466922e-01 -6.280466922e-01 4.38 -6.055439052e-01 -6.055439052e-01 4.40 -5.836295347e-01 -5.836295347e-01 4.42 -5.623107994e-01 -5.623107994e-01 4.44 -5.415970983e-01 -5.415970983e-01 4.46 -5.214990117e-01 -5.214990117e-01 4.48 -5.020271131e-01 -5.020271131e-01 4.50 -4.831906617e-01 -4.831906617e-01 4.52 -4.649962793e-01 -4.649962793e-01 4.54 -4.474467395e-01 -4.474467395e-01 4.56 -4.305399992e-01 -4.305399992e-01 4.58 -4.142685737e-01 -4.142685737e-01 4.60 -3.986193179e-01 -3.986193179e-01 4.62 -3.835736169e-01 -3.835736169e-01 4.64 -3.691079405e-01 -3.691079405e-01 4.66 -3.551946779e-01 -3.551946779e-01 4.68 -3.418031516e-01 -3.418031516e-01 4.70 -3.289007111e-01 -3.289007111e-01 4.72 -3.164538226e-01 -3.164538226e-01 4.74 -3.044290953e-01 -3.044290953e-01 4.76 -2.927942097e-01 -2.927942097e-01 4.78 -2.815187350e-01 -2.815187350e-01 4.80 -2.705747515e-01 -2.705747515e-01 4.82 -2.599377984e-01 -2.599377984e-01 4.84 -2.495868356e-01 -2.495868356e-01 4.86 -2.395050283e-01 -2.395050283e-01 4.88 -2.296799457e-01 -2.296799457e-01 4.90 -2.201037313e-01 -2.201037313e-01 4.92 -2.107731179e-01 -2.107731179e-01 4.94 -2.016892551e-01 -2.016892551e-01 4.96 -1.928573213e-01 -1.928573213e-01 4.98 -1.842859056e-01 -1.842859056e-01 5.00 -1.759861678e-01 -1.759861678e-01 5.02 -1.679708087e-01 -1.679708087e-01 5.04 -1.602529163e-01 -1.602529163e-01 5.06 -1.528447768e-01 -1.528447768e-01 5.08 -1.457567514e-01 -1.457567514e-01 5.10 -1.389963202e-01 -1.389963202e-01 5.12 -1.325673714e-01 -1.325673714e-01 5.14 -1.264697946e-01 -1.264697946e-01 5.16 -1.206993822e-01 -1.206993822e-01 5.18 -1.152480173e-01 -1.152480173e-01 5.20 -1.101038182e-01 -1.101038182e-01 5.22 -1.052520943e-01 -1.052520943e-01 5.24 -1.006764242e-01 -1.006764242e-01 5.26 -9.635867619e-02 -9.635867619e-02 5.28 -9.227969293e-02 -9.227969293e-02 5.30 -8.841989658e-02 -8.841989658e-02 5.32 -8.475978595e-02 -8.475978595e-02 5.34 -8.128032167e-02 -8.128032167e-02 5.36 -7.796320676e-02 -7.796320676e-02 5.38 -7.479107657e-02 -7.479107657e-02 5.40 -7.174761575e-02 -7.174761575e-02 5.42 -6.881762071e-02 -6.881762071e-02 5.44 -6.598702518e-02 -6.598702518e-02 5.46 -6.324290454e-02 -6.324290454e-02 5.48 -6.057347222e-02 -6.057347222e-02 5.50 -5.796807886e-02 -5.796807886e-02 5.52 -5.541722207e-02 -5.541722207e-02 5.54 -5.291257199e-02 -5.291257199e-02 5.56 -5.044701526e-02 -5.044701526e-02 5.58 -4.801471661e-02 -4.801471661e-02 5.60 -4.561119481e-02 -4.561119481e-02 5.62 -4.323340605e-02 -4.323340605e-02 5.64 -4.087982502e-02 -4.087982502e-02 5.66 -3.855051095e-02 -3.855051095e-02 5.68 -3.624714386e-02 -3.624714386e-02 5.70 -3.397301531e-02 -3.397301531e-02 5.72 -3.173295895e-02 -3.173295895e-02 5.74 -2.953320931e-02 -2.953320931e-02 5.76 -2.738118265e-02 -2.738118265e-02 5.78 -2.528518180e-02 -2.528518180e-02 5.80 -2.325403331e-02 -2.325403331e-02 5.82 -2.129667898e-02 -2.129667898e-02 5.84 -1.942174752e-02 -1.942174752e-02 5.86 -1.763713695e-02 -1.763713695e-02 5.88 -1.594964034e-02 -1.594964034e-02 5.90 -1.436464295e-02 -1.436464295e-02 5.92 -1.288580724e-02 -1.288580724e-02 5.94 -1.151492926e-02 -1.151492926e-02 5.96 -1.025249731e-02 -1.025249731e-02 5.98 -9.097329003e-03 -9.097329003e-03 6.00 -8.046711851e-03 -8.046711851e-03