# 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 = PbPtW2 # 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 5.375509083e+02 5.375509083e+02 1.30 5.015326610e+02 5.015326610e+02 1.32 4.679848154e+02 4.679848154e+02 1.34 4.367109255e+02 4.367109255e+02 1.36 4.075490567e+02 4.075490567e+02 1.38 3.803619442e+02 3.803619442e+02 1.40 3.550260020e+02 3.550260020e+02 1.42 3.314221715e+02 3.314221715e+02 1.44 3.094307591e+02 3.094307591e+02 1.46 2.889315974e+02 2.889315974e+02 1.48 2.698080496e+02 2.698080496e+02 1.50 2.519511167e+02 2.519511167e+02 1.52 2.352611291e+02 2.352611291e+02 1.54 2.196474540e+02 2.196474540e+02 1.56 2.050275082e+02 2.050275082e+02 1.58 1.913257818e+02 1.913257818e+02 1.60 1.784727460e+02 1.784727460e+02 1.62 1.664037945e+02 1.664037945e+02 1.64 1.550586212e+02 1.550586212e+02 1.66 1.443814228e+02 1.443814228e+02 1.68 1.343217520e+02 1.343217520e+02 1.70 1.248354774e+02 1.248354774e+02 1.72 1.158853905e+02 1.158853905e+02 1.74 1.074411224e+02 1.074411224e+02 1.76 9.947841093e+01 9.947841093e+01 1.78 9.197798388e+01 9.197798388e+01 1.80 8.492424074e+01 8.492424074e+01 1.82 7.830368872e+01 7.830368872e+01 1.84 7.210310772e+01 7.210310772e+01 1.86 6.630785188e+01 6.630785188e+01 1.88 6.090143668e+01 6.090143668e+01 1.90 5.586343391e+01 5.586343391e+01 1.92 5.117034216e+01 5.117034216e+01 1.94 4.682915935e+01 4.682915935e+01 1.96 4.284224897e+01 4.284224897e+01 1.98 3.917492785e+01 3.917492785e+01 2.00 3.579607946e+01 3.579607946e+01 2.02 3.267828558e+01 3.267828558e+01 2.04 2.979750715e+01 2.979750715e+01 2.06 2.713259899e+01 2.713259899e+01 2.08 2.466481633e+01 2.466481633e+01 2.10 2.237738015e+01 2.237738015e+01 2.12 2.025515890e+01 2.025515890e+01 2.14 1.828444826e+01 1.828444826e+01 2.16 1.645285171e+01 1.645285171e+01 2.18 1.474922750e+01 1.474922750e+01 2.20 1.316365107e+01 1.316365107e+01 2.22 1.168735703e+01 1.168735703e+01 2.24 1.031263650e+01 1.031263650e+01 2.26 9.032697578e+00 9.032697578e+00 2.28 7.841513162e+00 7.841513162e+00 2.30 6.733666716e+00 6.733666716e+00 2.32 5.704220955e+00 5.704220955e+00 2.34 4.748616351e+00 4.748616351e+00 2.36 3.862585615e+00 3.862585615e+00 2.38 3.042095901e+00 3.042095901e+00 2.40 2.283307457e+00 2.283307457e+00 2.42 1.582545423e+00 1.582545423e+00 2.44 9.362775626e-01 9.362775626e-01 2.46 3.410970600e-01 3.410970600e-01 2.48 -2.062919714e-01 -2.062919714e-01 2.50 -7.090812538e-01 -7.090812538e-01 2.52 -1.170322697e+00 -1.170322697e+00 2.54 -1.592811725e+00 -1.592811725e+00 2.56 -1.979436315e+00 -1.979436315e+00 2.58 -2.332884303e+00 -2.332884303e+00 2.60 -2.655553053e+00 -2.655553053e+00 2.62 -2.949539805e+00 -2.949539805e+00 2.64 -3.216666624e+00 -3.216666624e+00 2.66 -3.458523147e+00 -3.458523147e+00 2.68 -3.676520198e+00 -3.676520198e+00 2.70 -3.871677157e+00 -3.871677157e+00 2.72 -4.044650510e+00 -4.044650510e+00 2.74 -4.196692427e+00 -4.196692427e+00 2.76 -4.329357557e+00 -4.329357557e+00 2.78 -4.443131861e+00 -4.443131861e+00 2.80 -4.538560551e+00 -4.538560551e+00 2.82 -4.616256064e+00 -4.616256064e+00 2.84 -4.676889212e+00 -4.676889212e+00 2.86 -4.721188054e+00 -4.721188054e+00 2.88 -4.749943796e+00 -4.749943796e+00 2.90 -4.764021681e+00 -4.764021681e+00 2.92 -4.764373124e+00 -4.764373124e+00 2.94 -4.752044054e+00 -4.752044054e+00 2.96 -4.728174041e+00 -4.728174041e+00 2.98 -4.693981920e+00 -4.693981920e+00 3.00 -4.650736317e+00 -4.650736317e+00 3.02 -4.599713279e+00 -4.599713279e+00 3.04 -4.542146205e+00 -4.542146205e+00 3.06 -4.479179644e+00 -4.479179644e+00 3.08 -4.411824806e+00 -4.411824806e+00 3.10 -4.340935479e+00 -4.340935479e+00 3.12 -4.267194893e+00 -4.267194893e+00 3.14 -4.191122392e+00 -4.191122392e+00 3.16 -4.113081254e+00 -4.113081254e+00 3.18 -4.033303908e+00 -4.033303908e+00 3.20 -3.951914932e+00 -3.951914932e+00 3.22 -3.868955757e+00 -3.868955757e+00 3.24 -3.784408477e+00 -3.784408477e+00 3.26 -3.698218357e+00 -3.698218357e+00 3.28 -3.610315161e+00 -3.610315161e+00 3.30 -3.520633542e+00 -3.520633542e+00 3.32 -3.429132370e+00 -3.429132370e+00 3.34 -3.335812552e+00 -3.335812552e+00 3.36 -3.240732461e+00 -3.240732461e+00 3.38 -3.144019977e+00 -3.144019977e+00 3.40 -3.045912530e+00 -3.045912530e+00 3.42 -2.946942276e+00 -2.946942276e+00 3.44 -2.847818181e+00 -2.847818181e+00 3.46 -2.749258575e+00 -2.749258575e+00 3.48 -2.651948401e+00 -2.651948401e+00 3.50 -2.556480974e+00 -2.556480974e+00 3.52 -2.463318422e+00 -2.463318422e+00 3.54 -2.372852384e+00 -2.372852384e+00 3.56 -2.285401062e+00 -2.285401062e+00 3.58 -2.201202750e+00 -2.201202750e+00 3.60 -2.120415019e+00 -2.120415019e+00 3.62 -2.043118873e+00 -2.043118873e+00 3.64 -1.969326714e+00 -1.969326714e+00 3.66 -1.898992767e+00 -1.898992767e+00 3.68 -1.832024600e+00 -1.832024600e+00 3.70 -1.768294586e+00 -1.768294586e+00 3.72 -1.707650388e+00 -1.707650388e+00 3.74 -1.649923928e+00 -1.649923928e+00 3.76 -1.594938587e+00 -1.594938587e+00 3.78 -1.542514655e+00 -1.542514655e+00 3.80 -1.492473264e+00 -1.492473264e+00 3.82 -1.444639109e+00 -1.444639109e+00 3.84 -1.398842308e+00 -1.398842308e+00 3.86 -1.354919675e+00 -1.354919675e+00 3.88 -1.312715637e+00 -1.312715637e+00 3.90 -1.272082931e+00 -1.272082931e+00 3.92 -1.232883007e+00 -1.232883007e+00 3.94 -1.194987172e+00 -1.194987172e+00 3.96 -1.158276011e+00 -1.158276011e+00 3.98 -1.122640599e+00 -1.122640599e+00 4.00 -1.087982854e+00 -1.087982854e+00 4.02 -1.054216178e+00 -1.054216178e+00 4.04 -1.021266214e+00 -1.021266214e+00 4.06 -9.890716718e-01 -9.890716718e-01 4.08 -9.575851415e-01 -9.575851415e-01 4.10 -9.267723535e-01 -9.267723535e-01 4.12 -8.966183135e-01 -8.966183135e-01 4.14 -8.671178616e-01 -8.671178616e-01 4.16 -8.382810833e-01 -8.382810833e-01 4.18 -8.101296695e-01 -8.101296695e-01 4.20 -7.826940688e-01 -7.826940688e-01 4.22 -7.560098588e-01 -7.560098588e-01 4.24 -7.301136321e-01 -7.301136321e-01 4.26 -7.050387992e-01 -7.050387992e-01 4.28 -6.808117650e-01 -6.808117650e-01 4.30 -6.574488797e-01 -6.574488797e-01 4.32 -6.349544504e-01 -6.349544504e-01 4.34 -6.133199196e-01 -6.133199196e-01 4.36 -5.925241488e-01 -5.925241488e-01 4.38 -5.725346041e-01 -5.725346041e-01 4.40 -5.533091643e-01 -5.533091643e-01 4.42 -5.347982424e-01 -5.347982424e-01 4.44 -5.169469895e-01 -5.169469895e-01 4.46 -4.996973691e-01 -4.996973691e-01 4.48 -4.829899678e-01 -4.829899678e-01 4.50 -4.667655208e-01 -4.667655208e-01 4.52 -4.509661328e-01 -4.509661328e-01 4.54 -4.355355322e-01 -4.355355322e-01 4.56 -4.204218329e-01 -4.204218329e-01 4.58 -4.055773109e-01 -4.055773109e-01 4.60 -3.909585291e-01 -3.909585291e-01 4.62 -3.765272000e-01 -3.765272000e-01 4.64 -3.622510099e-01 -3.622510099e-01 4.66 -3.481044394e-01 -3.481044394e-01 4.68 -3.340695776e-01 -3.340695776e-01 4.70 -3.201368897e-01 -3.201368897e-01 4.72 -3.063058689e-01 -3.063058689e-01 4.74 -2.925854771e-01 -2.925854771e-01 4.76 -2.789942689e-01 -2.789942689e-01 4.78 -2.655600933e-01 -2.655600933e-01 4.80 -2.523184958e-01 -2.523184958e-01 4.82 -2.393146863e-01 -2.393146863e-01 4.84 -2.265964849e-01 -2.265964849e-01 4.86 -2.142156245e-01 -2.142156245e-01 4.88 -2.022242021e-01 -2.022242021e-01 4.90 -1.906719936e-01 -1.906719936e-01 4.92 -1.796039098e-01 -1.796039098e-01 4.94 -1.690578096e-01 -1.690578096e-01 4.96 -1.590628467e-01 -1.590628467e-01 4.98 -1.496384595e-01 -1.496384595e-01 5.00 -1.407940348e-01 -1.407940348e-01 5.02 -1.325292025e-01 -1.325292025e-01 5.04 -1.248346588e-01 -1.248346588e-01 5.06 -1.176933754e-01 -1.176933754e-01 5.08 -1.110820463e-01 -1.110820463e-01 5.10 -1.049726188e-01 -1.049726188e-01 5.12 -9.933379189e-02 -9.933379189e-02 5.14 -9.413238840e-02 -9.413238840e-02 5.16 -8.933454332e-02 -8.933454332e-02 5.18 -8.490667768e-02 -8.490667768e-02 5.20 -8.081625368e-02 -8.081625368e-02 5.22 -7.703232265e-02 -7.703232265e-02 5.24 -7.352588933e-02 -7.352588933e-02 5.26 -7.027016745e-02 -7.027016745e-02 5.28 -6.724084550e-02 -6.724084550e-02 5.30 -6.441550368e-02 -6.441550368e-02 5.32 -6.177382779e-02 -6.177382779e-02 5.34 -5.929755589e-02 -5.929755589e-02 5.36 -5.697032474e-02 -5.697032474e-02 5.38 -5.477750161e-02 -5.477750161e-02 5.40 -5.270601260e-02 -5.270601260e-02 5.42 -5.074417504e-02 -5.074417504e-02 5.44 -4.888153953e-02 -4.888153953e-02 5.46 -4.710874453e-02 -4.710874453e-02 5.48 -4.541738514e-02 -4.541738514e-02 5.50 -4.379989648e-02 -4.379989648e-02 5.52 -4.224945108e-02 -4.224945108e-02 5.54 -4.075986938e-02 -4.075986938e-02 5.56 -3.932554232e-02 -3.932554232e-02 5.58 -3.794136454e-02 -3.794136454e-02 5.60 -3.660267733e-02 -3.660267733e-02 5.62 -3.530522034e-02 -3.530522034e-02 5.64 -3.404509091e-02 -3.404509091e-02 5.66 -3.281871081e-02 -3.281871081e-02 5.68 -3.162279980e-02 -3.162279980e-02 5.70 -3.045435551e-02 -3.045435551e-02 5.72 -2.931063941e-02 -2.931063941e-02 5.74 -2.818916857e-02 -2.818916857e-02 5.76 -2.708771286e-02 -2.708771286e-02 5.78 -2.600429728e-02 -2.600429728e-02 5.80 -2.493720881e-02 -2.493720881e-02 5.82 -2.388500713e-02 -2.388500713e-02 5.84 -2.284653840e-02 -2.284653840e-02 5.86 -2.182095067e-02 -2.182095067e-02 5.88 -2.080770992e-02 -2.080770992e-02 5.90 -1.980661455e-02 -1.980661455e-02 5.92 -1.881780684e-02 -1.881780684e-02 5.94 -1.784176867e-02 -1.784176867e-02 5.96 -1.687925991e-02 -1.687925991e-02 5.98 -1.593146100e-02 -1.593146100e-02 6.00 -1.499988926e-02 -1.499988926e-02