# 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 = CoFePt2 # 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 2.822477091e+02 2.822477091e+02 1.30 2.616473667e+02 2.616473667e+02 1.32 2.424762202e+02 2.424762202e+02 1.34 2.246368579e+02 2.246368579e+02 1.36 2.080386262e+02 2.080386262e+02 1.38 1.925933141e+02 1.925933141e+02 1.40 1.782153272e+02 1.782153272e+02 1.42 1.648243040e+02 1.648243040e+02 1.44 1.523455722e+02 1.523455722e+02 1.46 1.407096138e+02 1.407096138e+02 1.48 1.298529997e+02 1.298529997e+02 1.50 1.197188696e+02 1.197188696e+02 1.52 1.102550513e+02 1.102550513e+02 1.54 1.014113369e+02 1.014113369e+02 1.56 9.313814868e+01 9.313814868e+01 1.58 8.538695918e+01 8.538695918e+01 1.60 7.811148551e+01 7.811148551e+01 1.62 7.126900909e+01 7.126900909e+01 1.64 6.482186961e+01 6.482186961e+01 1.66 5.873904506e+01 5.873904506e+01 1.68 5.299714341e+01 5.299714341e+01 1.70 4.758007387e+01 4.758007387e+01 1.72 4.249301165e+01 4.249301165e+01 1.74 3.783866031e+01 3.783866031e+01 1.76 3.361121413e+01 3.361121413e+01 1.78 2.977635117e+01 2.977635117e+01 1.80 2.629848942e+01 2.629848942e+01 1.82 2.314325469e+01 2.314325469e+01 1.84 2.027964251e+01 2.027964251e+01 1.86 1.768096012e+01 1.768096012e+01 1.88 1.532443339e+01 1.532443339e+01 1.90 1.318992291e+01 1.318992291e+01 1.92 1.125851435e+01 1.125851435e+01 1.94 9.511715516e+00 9.511715516e+00 1.96 7.931518558e+00 7.931518558e+00 1.98 6.500994300e+00 6.500994300e+00 2.00 5.204868367e+00 5.204868367e+00 2.02 4.029763194e+00 4.029763194e+00 2.04 2.964122617e+00 2.964122617e+00 2.06 1.997974698e+00 1.997974698e+00 2.08 1.122651143e+00 1.122651143e+00 2.10 3.305141932e-01 3.305141932e-01 2.12 -3.852844218e-01 -3.852844218e-01 2.14 -1.030988421e+00 -1.030988421e+00 2.16 -1.612348428e+00 -1.612348428e+00 2.18 -2.134664877e+00 -2.134664877e+00 2.20 -2.602789752e+00 -2.602789752e+00 2.22 -3.021120046e+00 -3.021120046e+00 2.24 -3.393604093e+00 -3.393604093e+00 2.26 -3.723766078e+00 -3.723766078e+00 2.28 -4.014745026e+00 -4.014745026e+00 2.30 -4.269343181e+00 -4.269343181e+00 2.32 -4.490080609e+00 -4.490080609e+00 2.34 -4.679254282e+00 -4.679254282e+00 2.36 -4.839000047e+00 -4.839000047e+00 2.38 -4.971354501e+00 -4.971354501e+00 2.40 -5.078312031e+00 -5.078312031e+00 2.42 -5.161904153e+00 -5.161904153e+00 2.44 -5.226456856e+00 -5.226456856e+00 2.46 -5.274711165e+00 -5.274711165e+00 2.48 -5.307867187e+00 -5.307867187e+00 2.50 -5.327288757e+00 -5.327288757e+00 2.52 -5.334458290e+00 -5.334458290e+00 2.54 -5.330913931e+00 -5.330913931e+00 2.56 -5.318169350e+00 -5.318169350e+00 2.58 -5.297648710e+00 -5.297648710e+00 2.60 -5.270584727e+00 -5.270584727e+00 2.62 -5.237894405e+00 -5.237894405e+00 2.64 -5.200254191e+00 -5.200254191e+00 2.66 -5.158121468e+00 -5.158121468e+00 2.68 -5.111775651e+00 -5.111775651e+00 2.70 -5.061368511e+00 -5.061368511e+00 2.72 -5.006971780e+00 -5.006971780e+00 2.74 -4.948607784e+00 -4.948607784e+00 2.76 -4.886238825e+00 -4.886238825e+00 2.78 -4.819820616e+00 -4.819820616e+00 2.80 -4.749331023e+00 -4.749331023e+00 2.82 -4.674782013e+00 -4.674782013e+00 2.84 -4.596228743e+00 -4.596228743e+00 2.86 -4.513782160e+00 -4.513782160e+00 2.88 -4.427625177e+00 -4.427625177e+00 2.90 -4.338030370e+00 -4.338030370e+00 2.92 -4.245375067e+00 -4.245375067e+00 2.94 -4.150148023e+00 -4.150148023e+00 2.96 -4.052935924e+00 -4.052935924e+00 2.98 -3.954356475e+00 -3.954356475e+00 3.00 -3.855048551e+00 -3.855048551e+00 3.02 -3.755644500e+00 -3.755644500e+00 3.04 -3.656715489e+00 -3.656715489e+00 3.06 -3.558728511e+00 -3.558728511e+00 3.08 -3.462023004e+00 -3.462023004e+00 3.10 -3.366809176e+00 -3.366809176e+00 3.12 -3.273184468e+00 -3.273184468e+00 3.14 -3.181161412e+00 -3.181161412e+00 3.16 -3.090703022e+00 -3.090703022e+00 3.18 -3.001876929e+00 -3.001876929e+00 3.20 -2.914873542e+00 -2.914873542e+00 3.22 -2.829842616e+00 -2.829842616e+00 3.24 -2.746902811e+00 -2.746902811e+00 3.26 -2.666153717e+00 -2.666153717e+00 3.28 -2.587680344e+00 -2.587680344e+00 3.30 -2.511552845e+00 -2.511552845e+00 3.32 -2.437823870e+00 -2.437823870e+00 3.34 -2.366525455e+00 -2.366525455e+00 3.36 -2.297666701e+00 -2.297666701e+00 3.38 -2.231232972e+00 -2.231232972e+00 3.40 -2.167186783e+00 -2.167186783e+00 3.42 -2.105470218e+00 -2.105470218e+00 3.44 -2.046008398e+00 -2.046008398e+00 3.46 -1.988713539e+00 -1.988713539e+00 3.48 -1.933489050e+00 -1.933489050e+00 3.50 -1.880233314e+00 -1.880233314e+00 3.52 -1.828842880e+00 -1.828842880e+00 3.54 -1.779214962e+00 -1.779214962e+00 3.56 -1.731249234e+00 -1.731249234e+00 3.58 -1.684849005e+00 -1.684849005e+00 3.60 -1.639921898e+00 -1.639921898e+00 3.62 -1.596380169e+00 -1.596380169e+00 3.64 -1.554140805e+00 -1.554140805e+00 3.66 -1.513125511e+00 -1.513125511e+00 3.68 -1.473260673e+00 -1.473260673e+00 3.70 -1.434477335e+00 -1.434477335e+00 3.72 -1.396711203e+00 -1.396711203e+00 3.74 -1.359902669e+00 -1.359902669e+00 3.76 -1.323996815e+00 -1.323996815e+00 3.78 -1.288943370e+00 -1.288943370e+00 3.80 -1.254696578e+00 -1.254696578e+00 3.82 -1.221214985e+00 -1.221214985e+00 3.84 -1.188461126e+00 -1.188461126e+00 3.86 -1.156401167e+00 -1.156401167e+00 3.88 -1.125004510e+00 -1.125004510e+00 3.90 -1.094243446e+00 -1.094243446e+00 3.92 -1.064092870e+00 -1.064092870e+00 3.94 -1.034530128e+00 -1.034530128e+00 3.96 -1.005535012e+00 -1.005535012e+00 3.98 -9.770899195e-01 -9.770899195e-01 4.00 -9.491801735e-01 -9.491801735e-01 4.02 -9.217944650e-01 -9.217944650e-01 4.04 -8.949253614e-01 -8.949253614e-01 4.06 -8.685697952e-01 -8.685697952e-01 4.08 -8.427294269e-01 -8.427294269e-01 4.10 -8.174107616e-01 -8.174107616e-01 4.12 -7.926249478e-01 -7.926249478e-01 4.14 -7.683870891e-01 -7.683870891e-01 4.16 -7.447151728e-01 -7.447151728e-01 4.18 -7.216285642e-01 -7.216285642e-01 4.20 -6.991462225e-01 -6.991462225e-01 4.22 -6.772848048e-01 -6.772848048e-01 4.24 -6.560568518e-01 -6.560568518e-01 4.26 -6.354692307e-01 -6.354692307e-01 4.28 -6.155219638e-01 -6.155219638e-01 4.30 -5.962075037e-01 -5.962075037e-01 4.32 -5.775104532e-01 -5.775104532e-01 4.34 -5.594076892e-01 -5.594076892e-01 4.36 -5.418688239e-01 -5.418688239e-01 4.38 -5.248569320e-01 -5.248569320e-01 4.40 -5.083294723e-01 -5.083294723e-01 4.42 -4.922393349e-01 -4.922393349e-01 4.44 -4.765359469e-01 -4.765359469e-01 4.46 -4.611663783e-01 -4.611663783e-01 4.48 -4.460764058e-01 -4.460764058e-01 4.50 -4.312115105e-01 -4.312115105e-01 4.52 -4.165178116e-01 -4.165178116e-01 4.54 -4.019429595e-01 -4.019429595e-01 4.56 -3.874370287e-01 -3.874370287e-01 4.58 -3.729534564e-01 -3.729534564e-01 4.60 -3.584500750e-01 -3.584500750e-01 4.62 -3.438902700e-01 -3.438902700e-01 4.64 -3.292442788e-01 -3.292442788e-01 4.66 -3.144906141e-01 -3.144906141e-01 4.68 -2.996175621e-01 -2.996175621e-01 4.70 -2.846246656e-01 -2.846246656e-01 4.72 -2.695240624e-01 -2.695240624e-01 4.74 -2.543415181e-01 -2.543415181e-01 4.76 -2.391169721e-01 -2.391169721e-01 4.78 -2.239044155e-01 -2.239044155e-01 4.80 -2.087709546e-01 -2.087709546e-01 4.82 -1.937949880e-01 -1.937949880e-01 4.84 -1.790634723e-01 -1.790634723e-01 4.86 -1.646684234e-01 -1.646684234e-01 4.88 -1.507028642e-01 -1.507028642e-01 4.90 -1.372565380e-01 -1.372565380e-01 4.92 -1.244117523e-01 -1.244117523e-01 4.94 -1.122397131e-01 -1.122397131e-01 4.96 -1.007979486e-01 -1.007979486e-01 4.98 -9.012850476e-02 -9.012850476e-02 5.00 -8.025574413e-02 -8.025574413e-02 5.02 -7.118769738e-02 -7.118769738e-02 5.04 -6.291729505e-02 -6.291729505e-02 5.06 -5.542420169e-02 -5.542420169e-02 5.08 -4.867708316e-02 -4.867708316e-02 5.10 -4.263607008e-02 -4.263607008e-02 5.12 -3.725521196e-02 -3.725521196e-02 5.14 -3.248476387e-02 -3.248476387e-02 5.16 -2.827319921e-02 -2.827319921e-02 5.18 -2.456889087e-02 -2.456889087e-02 5.20 -2.132143763e-02 -2.132143763e-02 5.22 -1.848266202e-02 -1.848266202e-02 5.24 -1.600730039e-02 -1.600730039e-02 5.26 -1.385329140e-02 -1.385329140e-02 5.28 -1.198182854e-02 -1.198182854e-02 5.30 -1.035856101e-02 -1.035856101e-02 5.32 -8.952548255e-03 -8.952548255e-03 5.34 -7.736077230e-03 -7.736077230e-03 5.36 -6.684518667e-03 -6.684518667e-03 5.38 -5.776122321e-03 -5.776122321e-03 5.40 -4.991779688e-03 -4.991779688e-03 5.42 -4.314774231e-03 -4.314774231e-03 5.44 -3.730532756e-03 -3.730532756e-03 5.46 -3.226386754e-03 -3.226386754e-03 5.48 -2.791349072e-03 -2.791349072e-03 5.50 -2.415908777e-03 -2.415908777e-03 5.52 -2.091845368e-03 -2.091845368e-03 5.54 -1.812062340e-03 -1.812062340e-03 5.56 -1.570439353e-03 -1.570439353e-03 5.58 -1.361701822e-03 -1.361701822e-03 5.60 -1.181306522e-03 -1.181306522e-03 5.62 -1.025341676e-03 -1.025341676e-03 5.64 -8.904400139e-04 -8.904400139e-04 5.66 -7.737033428e-04 -7.737033428e-04 5.68 -6.726372619e-04 -6.726372619e-04 5.70 -5.850947673e-04 -5.850947673e-04 5.72 -5.092276131e-04 -5.092276131e-04 5.74 -4.434444162e-04 -4.434444162e-04 5.76 -3.863746033e-04 -3.863746033e-04 5.78 -3.368374120e-04 -3.368374120e-04 5.80 -2.938152507e-04 -2.938152507e-04 5.82 -2.564308155e-04 -2.564308155e-04 5.84 -2.239274387e-04 -2.239274387e-04 5.86 -1.956522159e-04 -1.956522159e-04 5.88 -1.710415182e-04 -1.710415182e-04 5.90 -1.496085540e-04 -1.496085540e-04 5.92 -1.309326878e-04 -1.309326878e-04 5.94 -1.146502658e-04 -1.146502658e-04 5.96 -1.004467359e-04 -1.004467359e-04 5.98 -8.804987541e-05 -8.804987541e-05 6.00 -7.722397019e-05 -7.722397019e-05