# 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 = CoPdTa2 # 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 3.266628053e+02 3.266628053e+02 1.30 3.027899998e+02 3.027899998e+02 1.32 2.806969176e+02 2.806969176e+02 1.34 2.602410734e+02 2.602410734e+02 1.36 2.412885678e+02 2.412885678e+02 1.38 2.237145230e+02 2.237145230e+02 1.40 2.074045680e+02 2.074045680e+02 1.42 1.922559786e+02 1.922559786e+02 1.44 1.781775168e+02 1.781775168e+02 1.46 1.650879348e+02 1.650879348e+02 1.48 1.529138670e+02 1.529138670e+02 1.50 1.415879915e+02 1.415879915e+02 1.52 1.310478856e+02 1.310478856e+02 1.54 1.212354997e+02 1.212354997e+02 1.56 1.120969968e+02 1.120969968e+02 1.58 1.035827033e+02 1.035827033e+02 1.60 9.564700792e+01 9.564700792e+01 1.62 8.824816852e+01 8.824816852e+01 1.64 8.134805224e+01 8.134805224e+01 1.66 7.491182581e+01 7.491182581e+01 1.68 6.890759742e+01 6.890759742e+01 1.70 6.330600208e+01 6.330600208e+01 1.72 5.807974527e+01 5.807974527e+01 1.74 5.320318184e+01 5.320318184e+01 1.76 4.865203922e+01 4.865203922e+01 1.78 4.440333034e+01 4.440333034e+01 1.80 4.043539744e+01 4.043539744e+01 1.82 3.672803341e+01 3.672803341e+01 1.84 3.326862427e+01 3.326862427e+01 1.86 3.004372314e+01 3.004372314e+01 1.88 2.703689600e+01 2.703689600e+01 1.90 2.423558838e+01 2.423558838e+01 1.92 2.164011456e+01 2.164011456e+01 1.94 1.923981599e+01 1.923981599e+01 1.96 1.702255704e+01 1.702255704e+01 1.98 1.497682479e+01 1.497682479e+01 2.00 1.309147856e+01 1.309147856e+01 2.02 1.135563652e+01 1.135563652e+01 2.04 9.758692738e+00 9.758692738e+00 2.06 8.290421319e+00 8.290421319e+00 2.08 6.941111019e+00 6.941111019e+00 2.10 5.701681114e+00 5.701681114e+00 2.12 4.563751162e+00 4.563751162e+00 2.14 3.519660530e+00 3.519660530e+00 2.16 2.562447878e+00 2.562447878e+00 2.18 1.685803399e+00 1.685803399e+00 2.20 8.840025878e-01 8.840025878e-01 2.22 1.518262390e-01 1.518262390e-01 2.24 -5.155292492e-01 -5.155292492e-01 2.26 -1.122545090e+00 -1.122545090e+00 2.28 -1.673468172e+00 -1.673468172e+00 2.30 -2.172383777e+00 -2.172383777e+00 2.32 -2.623262896e+00 -2.623262896e+00 2.34 -3.029976744e+00 -3.029976744e+00 2.36 -3.396277103e+00 -3.396277103e+00 2.38 -3.725749440e+00 -3.725749440e+00 2.40 -4.021753623e+00 -4.021753623e+00 2.42 -4.287370678e+00 -4.287370678e+00 2.44 -4.525371103e+00 -4.525371103e+00 2.46 -4.738211588e+00 -4.738211588e+00 2.48 -4.928056597e+00 -4.928056597e+00 2.50 -5.096624792e+00 -5.096624792e+00 2.52 -5.245646488e+00 -5.245646488e+00 2.54 -5.376900096e+00 -5.376900096e+00 2.56 -5.491941299e+00 -5.491941299e+00 2.58 -5.592141404e+00 -5.592141404e+00 2.60 -5.678717391e+00 -5.678717391e+00 2.62 -5.752753562e+00 -5.752753562e+00 2.64 -5.815180479e+00 -5.815180479e+00 2.66 -5.866487938e+00 -5.866487938e+00 2.68 -5.906984960e+00 -5.906984960e+00 2.70 -5.937023976e+00 -5.937023976e+00 2.72 -5.956983657e+00 -5.956983657e+00 2.74 -5.967255687e+00 -5.967255687e+00 2.76 -5.968236024e+00 -5.968236024e+00 2.78 -5.960319188e+00 -5.960319188e+00 2.80 -5.943895040e+00 -5.943895040e+00 2.82 -5.919353309e+00 -5.919353309e+00 2.84 -5.887107634e+00 -5.887107634e+00 2.86 -5.847512922e+00 -5.847512922e+00 2.88 -5.800918920e+00 -5.800918920e+00 2.90 -5.747684944e+00 -5.747684944e+00 2.92 -5.688178910e+00 -5.688178910e+00 2.94 -5.622782166e+00 -5.622782166e+00 2.96 -5.552119807e+00 -5.552119807e+00 2.98 -5.476564106e+00 -5.476564106e+00 3.00 -5.396334642e+00 -5.396334642e+00 3.02 -5.311632349e+00 -5.311632349e+00 3.04 -5.222626499e+00 -5.222626499e+00 3.06 -5.129486559e+00 -5.129486559e+00 3.08 -5.032381464e+00 -5.032381464e+00 3.10 -4.931479391e+00 -4.931479391e+00 3.12 -4.826951788e+00 -4.826951788e+00 3.14 -4.718995671e+00 -4.718995671e+00 3.16 -4.607849754e+00 -4.607849754e+00 3.18 -4.493781429e+00 -4.493781429e+00 3.20 -4.377098520e+00 -4.377098520e+00 3.22 -4.258161169e+00 -4.258161169e+00 3.24 -4.137389528e+00 -4.137389528e+00 3.26 -4.015265435e+00 -4.015265435e+00 3.28 -3.892326825e+00 -3.892326825e+00 3.30 -3.769154381e+00 -3.769154381e+00 3.32 -3.646351071e+00 -3.646351071e+00 3.34 -3.524516338e+00 -3.524516338e+00 3.36 -3.404217685e+00 -3.404217685e+00 3.38 -3.285962961e+00 -3.285962961e+00 3.40 -3.170176604e+00 -3.170176604e+00 3.42 -3.057182442e+00 -3.057182442e+00 3.44 -2.947194553e+00 -2.947194553e+00 3.46 -2.840316488e+00 -2.840316488e+00 3.48 -2.736548007e+00 -2.736548007e+00 3.50 -2.635797736e+00 -2.635797736e+00 3.52 -2.537899801e+00 -2.537899801e+00 3.54 -2.442632546e+00 -2.442632546e+00 3.56 -2.349737767e+00 -2.349737767e+00 3.58 -2.258939318e+00 -2.258939318e+00 3.60 -2.169960426e+00 -2.169960426e+00 3.62 -2.082539351e+00 -2.082539351e+00 3.64 -1.996443266e+00 -1.996443266e+00 3.66 -1.911480300e+00 -1.911480300e+00 3.68 -1.827509607e+00 -1.827509607e+00 3.70 -1.744449245e+00 -1.744449245e+00 3.72 -1.662281475e+00 -1.662281475e+00 3.74 -1.581055027e+00 -1.581055027e+00 3.76 -1.500883871e+00 -1.500883871e+00 3.78 -1.421942186e+00 -1.421942186e+00 3.80 -1.344455449e+00 -1.344455449e+00 3.82 -1.268687990e+00 -1.268687990e+00 3.84 -1.194927738e+00 -1.194927738e+00 3.86 -1.123469285e+00 -1.123469285e+00 3.88 -1.054596662e+00 -1.054596662e+00 3.90 -9.885672915e-01 -9.885672915e-01 3.92 -9.255984643e-01 -9.255984643e-01 3.94 -8.658573677e-01 -8.658573677e-01 3.96 -8.094552304e-01 -8.094552304e-01 3.98 -7.564456722e-01 -7.564456722e-01 4.00 -7.068268762e-01 -7.068268762e-01 4.02 -6.605468576e-01 -6.605468576e-01 4.04 -6.175108984e-01 -6.175108984e-01 4.06 -5.775901651e-01 -5.775901651e-01 4.08 -5.406305992e-01 -5.406305992e-01 4.10 -5.064613425e-01 -5.064613425e-01 4.12 -4.749021819e-01 -4.749021819e-01 4.14 -4.457697146e-01 -4.457697146e-01 4.16 -4.188821652e-01 -4.188821652e-01 4.18 -3.940629207e-01 -3.940629207e-01 4.20 -3.711429586e-01 -3.711429586e-01 4.22 -3.499623784e-01 -3.499623784e-01 4.24 -3.303712354e-01 -3.303712354e-01 4.26 -3.122298405e-01 -3.122298405e-01 4.28 -2.954086505e-01 -2.954086505e-01 4.30 -2.797878463e-01 -2.797878463e-01 4.32 -2.652566897e-01 -2.652566897e-01 4.34 -2.517127494e-01 -2.517127494e-01 4.36 -2.390610978e-01 -2.390610978e-01 4.38 -2.272135569e-01 -2.272135569e-01 4.40 -2.160880847e-01 -2.160880847e-01 4.42 -2.056083254e-01 -2.056083254e-01 4.44 -1.957033289e-01 -1.957033289e-01 4.46 -1.863073931e-01 -1.863073931e-01 4.48 -1.773600018e-01 -1.773600018e-01 4.50 -1.688056751e-01 -1.688056751e-01 4.52 -1.605945044e-01 -1.605945044e-01 4.54 -1.526821078e-01 -1.526821078e-01 4.56 -1.450294480e-01 -1.450294480e-01 4.58 -1.376029533e-01 -1.376029533e-01 4.60 -1.303746139e-01 -1.303746139e-01 4.62 -1.233220394e-01 -1.233220394e-01 4.64 -1.164284638e-01 -1.164284638e-01 4.66 -1.096826733e-01 -1.096826733e-01 4.68 -1.030788290e-01 -1.030788290e-01 4.70 -9.661615575e-02 -9.661615575e-02 4.72 -9.029847803e-02 -9.029847803e-02 4.74 -8.413359775e-02 -8.413359775e-02 4.76 -7.813252934e-02 -7.813252934e-02 4.78 -7.230862942e-02 -7.230862942e-02 4.80 -6.667667574e-02 -6.667667574e-02 4.82 -6.125196191e-02 -6.125196191e-02 4.84 -5.604946565e-02 -5.604946565e-02 4.86 -5.108314704e-02 -5.108314704e-02 4.88 -4.636539454e-02 -4.636539454e-02 4.90 -4.190661656e-02 -4.190661656e-02 4.92 -3.771497356e-02 -3.771497356e-02 4.94 -3.379619767e-02 -3.379619767e-02 4.96 -3.015347615e-02 -3.015347615e-02 4.98 -2.678737266e-02 -2.678737266e-02 5.00 -2.369576756e-02 -2.369576756e-02 5.02 -2.087385479e-02 -2.087385479e-02 5.04 -1.831420663e-02 -1.831420663e-02 5.06 -1.600667584e-02 -1.600667584e-02 5.08 -1.393899990e-02 -1.393899990e-02 5.10 -1.209750256e-02 -1.209750256e-02 5.12 -1.046693997e-02 -1.046693997e-02 5.14 -9.031008071e-03 -9.031008071e-03 5.16 -7.772854859e-03 -7.772854859e-03 5.18 -6.675557152e-03 -6.675557152e-03 5.20 -5.722535705e-03 -5.722535705e-03 5.22 -4.897892250e-03 -4.897892250e-03 5.24 -4.186662195e-03 -4.186662195e-03 5.26 -3.574985208e-03 -3.574985208e-03 5.28 -3.050202031e-03 -3.050202031e-03 5.30 -2.600889372e-03 -2.600889372e-03 5.32 -2.216846108e-03 -2.216846108e-03 5.34 -1.889043683e-03 -1.889043683e-03 5.36 -1.609552239e-03 -1.609552239e-03 5.38 -1.371452137e-03 -1.371452137e-03 5.40 -1.168738496e-03 -1.168738496e-03 5.42 -9.962244302e-04 -9.962244302e-04 5.44 -8.494470406e-04 -8.494470406e-04 5.46 -7.245787673e-04 -7.245787673e-04 5.48 -6.183456936e-04 -6.183456936e-04 5.50 -5.279535541e-04 -5.279535541e-04 5.52 -4.510216400e-04 -4.510216400e-04 5.54 -3.855244051e-04 -3.855244051e-04 5.56 -3.297403304e-04 -3.297403304e-04 5.58 -2.822074651e-04 -2.822074651e-04 5.60 -2.416849990e-04 -2.416849990e-04 5.62 -2.071202043e-04 -2.071202043e-04 5.64 -1.776201078e-04 -1.776201078e-04 5.66 -1.524272911e-04 -1.524272911e-04 5.68 -1.308992712e-04 -1.308992712e-04 5.70 -1.124909651e-04 -1.124909651e-04 5.72 -9.673980392e-05 -9.673980392e-05 5.74 -8.325310864e-05 -8.325310864e-05 5.76 -7.169739663e-05 -7.169739663e-05 5.78 -6.178932811e-05 -6.178932811e-05 5.80 -5.328804557e-05 -5.328804557e-05 5.82 -4.598869337e-05 -4.598869337e-05 5.84 -3.971693650e-05 -3.971693650e-05 5.86 -3.432432435e-05 -3.432432435e-05 5.88 -2.968436893e-05 -2.968436893e-05 5.90 -2.568922661e-05 -2.568922661e-05 5.92 -2.224688987e-05 -2.224688987e-05 5.94 -1.927880956e-05 -1.927880956e-05 5.96 -1.671788111e-05 -1.671788111e-05 5.98 -1.450673802e-05 -1.450673802e-05 6.00 -1.259630514e-05 -1.259630514e-05