# 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 = Cu2NiTa # 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 1.520950572e+02 1.520950572e+02 1.30 1.398286775e+02 1.398286775e+02 1.32 1.285156681e+02 1.285156681e+02 1.34 1.180762636e+02 1.180762636e+02 1.36 1.084412643e+02 1.084412643e+02 1.38 9.955015617e+01 9.955015617e+01 1.40 9.134849941e+01 9.134849941e+01 1.42 8.378586334e+01 8.378586334e+01 1.44 7.681425802e+01 7.681425802e+01 1.46 7.038685715e+01 7.038685715e+01 1.48 6.445734701e+01 6.445734701e+01 1.50 5.898036715e+01 5.898036715e+01 1.52 5.391299435e+01 5.391299435e+01 1.54 4.921646141e+01 4.921646141e+01 1.56 4.485714100e+01 4.485714100e+01 1.58 4.080654643e+01 4.080654643e+01 1.60 3.704081657e+01 3.704081657e+01 1.62 3.354009884e+01 3.354009884e+01 1.64 3.028785419e+01 3.028785419e+01 1.66 2.727361758e+01 2.727361758e+01 1.68 2.448692559e+01 2.448692559e+01 1.70 2.191509124e+01 2.191509124e+01 1.72 1.954548519e+01 1.954548519e+01 1.74 1.736530543e+01 1.736530543e+01 1.76 1.536154710e+01 1.536154710e+01 1.78 1.352145010e+01 1.352145010e+01 1.80 1.183275683e+01 1.183275683e+01 1.82 1.028397092e+01 1.028397092e+01 1.84 8.864496996e+00 8.864496996e+00 1.86 7.564593417e+00 7.564593417e+00 1.88 6.375192656e+00 6.375192656e+00 1.90 5.287697510e+00 5.287697510e+00 1.92 4.293844359e+00 4.293844359e+00 1.94 3.385671203e+00 3.385671203e+00 1.96 2.555579014e+00 2.555579014e+00 1.98 1.796446259e+00 1.796446259e+00 2.00 1.101751965e+00 1.101751965e+00 2.02 4.656752480e-01 4.656752480e-01 2.04 -1.168470364e-01 -1.168470364e-01 2.06 -6.501160447e-01 -6.501160447e-01 2.08 -1.137725109e+00 -1.137725109e+00 2.10 -1.582664666e+00 -1.582664666e+00 2.12 -1.987457062e+00 -1.987457062e+00 2.14 -2.354295931e+00 -2.354295931e+00 2.16 -2.685171009e+00 -2.685171009e+00 2.18 -2.981969524e+00 -2.981969524e+00 2.20 -3.246553123e+00 -3.246553123e+00 2.22 -3.480812988e+00 -3.480812988e+00 2.24 -3.686707664e+00 -3.686707664e+00 2.26 -3.866289328e+00 -3.866289328e+00 2.28 -4.021668248e+00 -4.021668248e+00 2.30 -4.155020649e+00 -4.155020649e+00 2.32 -4.268994758e+00 -4.268994758e+00 2.34 -4.366271926e+00 -4.366271926e+00 2.36 -4.449407394e+00 -4.449407394e+00 2.38 -4.520691211e+00 -4.520691211e+00 2.40 -4.581754118e+00 -4.581754118e+00 2.42 -4.633448818e+00 -4.633448818e+00 2.44 -4.676489026e+00 -4.676489026e+00 2.46 -4.711494620e+00 -4.711494620e+00 2.48 -4.738988860e+00 -4.738988860e+00 2.50 -4.759411824e+00 -4.759411824e+00 2.52 -4.773140700e+00 -4.773140700e+00 2.54 -4.780511460e+00 -4.780511460e+00 2.56 -4.781835367e+00 -4.781835367e+00 2.58 -4.777416183e+00 -4.777416183e+00 2.60 -4.767563892e+00 -4.767563892e+00 2.62 -4.752604843e+00 -4.752604843e+00 2.64 -4.732890200e+00 -4.732890200e+00 2.66 -4.708802127e+00 -4.708802127e+00 2.68 -4.680756030e+00 -4.680756030e+00 2.70 -4.649171321e+00 -4.649171321e+00 2.72 -4.614377245e+00 -4.614377245e+00 2.74 -4.576857753e+00 -4.576857753e+00 2.76 -4.537196960e+00 -4.537196960e+00 2.78 -4.495332575e+00 -4.495332575e+00 2.80 -4.451208822e+00 -4.451208822e+00 2.82 -4.404795789e+00 -4.404795789e+00 2.84 -4.356077714e+00 -4.356077714e+00 2.86 -4.305049208e+00 -4.305049208e+00 2.88 -4.251716648e+00 -4.251716648e+00 2.90 -4.196101379e+00 -4.196101379e+00 2.92 -4.138256106e+00 -4.138256106e+00 2.94 -4.078282100e+00 -4.078282100e+00 2.96 -4.016293515e+00 -4.016293515e+00 2.98 -3.952409100e+00 -3.952409100e+00 3.00 -3.886749308e+00 -3.886749308e+00 3.02 -3.819432967e+00 -3.819432967e+00 3.04 -3.750574346e+00 -3.750574346e+00 3.06 -3.680281174e+00 -3.680281174e+00 3.08 -3.608653890e+00 -3.608653890e+00 3.10 -3.535786179e+00 -3.535786179e+00 3.12 -3.461766654e+00 -3.461766654e+00 3.14 -3.386681507e+00 -3.386681507e+00 3.16 -3.310617902e+00 -3.310617902e+00 3.18 -3.233667876e+00 -3.233667876e+00 3.20 -3.155932473e+00 -3.155932473e+00 3.22 -3.077525732e+00 -3.077525732e+00 3.24 -2.998578041e+00 -2.998578041e+00 3.26 -2.919238246e+00 -2.919238246e+00 3.28 -2.839673911e+00 -2.839673911e+00 3.30 -2.760069218e+00 -2.760069218e+00 3.32 -2.680620339e+00 -2.680620339e+00 3.34 -2.601528445e+00 -2.601528445e+00 3.36 -2.522991003e+00 -2.522991003e+00 3.38 -2.445192346e+00 -2.445192346e+00 3.40 -2.368294638e+00 -2.368294638e+00 3.42 -2.292430355e+00 -2.292430355e+00 3.44 -2.217697070e+00 -2.217697070e+00 3.46 -2.144155007e+00 -2.144155007e+00 3.48 -2.071827387e+00 -2.071827387e+00 3.50 -2.000703262e+00 -2.000703262e+00 3.52 -1.930742332e+00 -1.930742332e+00 3.54 -1.861881141e+00 -1.861881141e+00 3.56 -1.794040121e+00 -1.794040121e+00 3.58 -1.727131001e+00 -1.727131001e+00 3.60 -1.661064269e+00 -1.661064269e+00 3.62 -1.595756457e+00 -1.595756457e+00 3.64 -1.531137104e+00 -1.531137104e+00 3.66 -1.467155273e+00 -1.467155273e+00 3.68 -1.403785496e+00 -1.403785496e+00 3.70 -1.341032912e+00 -1.341032912e+00 3.72 -1.278937343e+00 -1.278937343e+00 3.74 -1.217575879e+00 -1.217575879e+00 3.76 -1.157063565e+00 -1.157063565e+00 3.78 -1.097551716e+00 -1.097551716e+00 3.80 -1.039223507e+00 -1.039223507e+00 3.82 -9.822867113e-01 -9.822867113e-01 3.84 -9.269637486e-01 -9.269637486e-01 3.86 -8.734796312e-01 -8.734796312e-01 3.88 -8.220487795e-01 -8.220487795e-01 3.90 -7.728619721e-01 -7.728619721e-01 3.92 -7.260748000e-01 -7.260748000e-01 3.94 -6.817988369e-01 -6.817988369e-01 3.96 -6.400963610e-01 -6.400963610e-01 3.98 -6.009789387e-01 -6.009789387e-01 4.00 -5.644096316e-01 -5.644096316e-01 4.02 -5.303081502e-01 -5.303081502e-01 4.04 -4.985580189e-01 -4.985580189e-01 4.06 -4.690147620e-01 -4.690147620e-01 4.08 -4.415142304e-01 -4.415142304e-01 4.10 -4.158804045e-01 -4.158804045e-01 4.12 -3.919322589e-01 -3.919322589e-01 4.14 -3.694895012e-01 -3.694895012e-01 4.16 -3.483771833e-01 -3.483771833e-01 4.18 -3.284293028e-01 -3.284293028e-01 4.20 -3.094915759e-01 -3.094915759e-01 4.22 -2.914235822e-01 -2.914235822e-01 4.24 -2.741004625e-01 -2.741004625e-01 4.26 -2.574143058e-01 -2.574143058e-01 4.28 -2.412753056e-01 -2.412753056e-01 4.30 -2.256126919e-01 -2.256126919e-01 4.32 -2.103753828e-01 -2.103753828e-01 4.34 -1.955322355e-01 -1.955322355e-01 4.36 -1.810717410e-01 -1.810717410e-01 4.38 -1.670009961e-01 -1.670009961e-01 4.40 -1.533438194e-01 -1.533438194e-01 4.42 -1.401379534e-01 -1.401379534e-01 4.44 -1.274314066e-01 -1.274314066e-01 4.46 -1.152781187e-01 -1.152781187e-01 4.48 -1.037332608e-01 -1.037332608e-01 4.50 -9.284856581e-02 -9.284856581e-02 4.52 -8.266811531e-02 -8.266811531e-02 4.54 -7.322496345e-02 -7.322496345e-02 4.56 -6.453887171e-02 -6.453887171e-02 4.58 -5.661526926e-02 -5.661526926e-02 4.60 -4.944541065e-02 -4.944541065e-02 4.62 -4.300756158e-02 -4.300756158e-02 4.64 -3.726893716e-02 -3.726893716e-02 4.66 -3.218782868e-02 -3.218782868e-02 4.68 -2.771659980e-02 -2.771659980e-02 4.70 -2.380425622e-02 -2.380425622e-02 4.72 -2.039780244e-02 -2.039780244e-02 4.74 -1.744497580e-02 -1.744497580e-02 4.76 -1.489559508e-02 -1.489559508e-02 4.78 -1.270209961e-02 -1.270209961e-02 4.80 -1.082032729e-02 -1.082032729e-02 4.82 -9.209950909e-03 -9.209950909e-03 4.84 -7.834646368e-03 -7.834646368e-03 4.86 -6.662065244e-03 -6.662065244e-03 4.88 -5.663670205e-03 -5.663670205e-03 4.90 -4.814483150e-03 -4.814483150e-03 4.92 -4.092784012e-03 -4.092784012e-03 4.94 -3.479788471e-03 -3.479788471e-03 4.96 -2.959324526e-03 -2.959324526e-03 4.98 -2.517521243e-03 -2.517521243e-03 5.00 -2.142517967e-03 -2.142517967e-03 5.02 -1.824198485e-03 -1.824198485e-03 5.04 -1.553952041e-03 -1.553952041e-03 5.06 -1.324461239e-03 -1.324461239e-03 5.08 -1.129515738e-03 -1.129515738e-03 5.10 -9.638499435e-04 -9.638499435e-04 5.12 -8.230025412e-04 -8.230025412e-04 5.14 -7.031955761e-04 -7.031955761e-04 5.16 -6.012308171e-04 -6.012308171e-04 5.18 -5.144012458e-04 -5.144012458e-04 5.20 -4.404156778e-04 -4.404156778e-04 5.22 -3.773347159e-04 -3.773347159e-04 5.24 -3.235164307e-04 -3.235164307e-04 5.26 -2.775703584e-04 -2.775703584e-04 5.28 -2.383185844e-04 -2.383185844e-04 5.30 -2.047628495e-04 -2.047628495e-04 5.32 -1.760567632e-04 -1.760567632e-04 5.34 -1.514823411e-04 -1.514823411e-04 5.36 -1.304301973e-04 -1.304301973e-04 5.38 -1.123828250e-04 -1.123828250e-04 5.40 -9.690048237e-05 -9.690048237e-05 5.42 -8.360927766e-05 -8.360927766e-05 5.44 -7.219110674e-05 -7.219110674e-05 5.46 -6.237515428e-05 -6.237515428e-05 5.48 -5.393071198e-05 -5.393071198e-05 5.50 -4.666110760e-05 -4.666110760e-05 5.52 -4.039857056e-05 -4.039857056e-05 5.54 -3.499988744e-05 -3.499988744e-05 5.56 -3.034272392e-05 -3.034272392e-05 5.58 -2.632250913e-05 -2.632250913e-05 5.60 -2.284979491e-05 -2.284979491e-05 5.62 -1.984801628e-05 -1.984801628e-05 5.64 -1.725159087e-05 -1.725159087e-05 5.66 -1.500430511e-05 -1.500430511e-05 5.68 -1.305794297e-05 -1.305794297e-05 5.70 -1.137111999e-05 -1.137111999e-05 5.72 -9.908291323e-06 -9.908291323e-06 5.74 -8.638907171e-06 -8.638907171e-06 5.76 -7.536693246e-06 -7.536693246e-06 5.78 -6.579037376e-06 -6.579037376e-06 5.80 -5.746466214e-06 -5.746466214e-06 5.82 -5.022198524e-06 -5.022198524e-06 5.84 -4.391763587e-06 -4.391763587e-06 5.86 -3.842675003e-06 -3.842675003e-06 5.88 -3.364151674e-06 -3.364151674e-06 5.90 -2.946878979e-06 -2.946878979e-06 5.92 -2.582804217e-06 -2.582804217e-06 5.94 -2.264961281e-06 -2.264961281e-06 5.96 -1.987320293e-06 -1.987320293e-06 5.98 -1.744658565e-06 -1.744658565e-06 6.00 -1.532449775e-06 -1.532449775e-06