# 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 = AlNi2Pd # 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 1.414723790e+02 1.414723790e+02 1.30 1.306266323e+02 1.306266323e+02 1.32 1.205857948e+02 1.205857948e+02 1.34 1.112879773e+02 1.112879773e+02 1.36 1.026760567e+02 1.026760567e+02 1.38 9.469631872e+01 9.469631872e+01 1.40 8.729852840e+01 8.729852840e+01 1.42 8.043671667e+01 8.043671667e+01 1.44 7.406960987e+01 7.406960987e+01 1.46 6.816017988e+01 6.816017988e+01 1.48 6.267472899e+01 6.267472899e+01 1.50 5.758225655e+01 5.758225655e+01 1.52 5.285416965e+01 5.285416965e+01 1.54 4.846388052e+01 4.846388052e+01 1.56 4.438623609e+01 4.438623609e+01 1.58 4.059715177e+01 4.059715177e+01 1.60 3.707369433e+01 3.707369433e+01 1.62 3.379902027e+01 3.379902027e+01 1.64 3.076647307e+01 3.076647307e+01 1.66 2.795931472e+01 2.795931472e+01 1.68 2.536109148e+01 2.536109148e+01 1.70 2.295612931e+01 2.295612931e+01 1.72 2.073006176e+01 2.073006176e+01 1.74 1.866961387e+01 1.866961387e+01 1.76 1.676252964e+01 1.676252964e+01 1.78 1.499761845e+01 1.499761845e+01 1.80 1.336479782e+01 1.336479782e+01 1.82 1.185502219e+01 1.185502219e+01 1.84 1.046010454e+01 1.046010454e+01 1.86 9.172507938e+00 9.172507938e+00 1.88 7.985164866e+00 7.985164866e+00 1.90 6.891342654e+00 6.891342654e+00 1.92 5.884553923e+00 5.884553923e+00 1.94 4.958507676e+00 4.958507676e+00 1.96 4.107102745e+00 4.107102745e+00 1.98 3.324472493e+00 3.324472493e+00 2.00 2.605079242e+00 2.605079242e+00 2.02 1.943827525e+00 1.943827525e+00 2.04 1.336144622e+00 1.336144622e+00 2.06 7.779908394e-01 7.779908394e-01 2.08 2.658016428e-01 2.658016428e-01 2.10 -2.036047685e-01 -2.036047685e-01 2.12 -6.331178324e-01 -6.331178324e-01 2.14 -1.025403658e+00 -1.025403658e+00 2.16 -1.382951016e+00 -1.382951016e+00 2.18 -1.708100533e+00 -1.708100533e+00 2.20 -2.003062968e+00 -2.003062968e+00 2.22 -2.269929583e+00 -2.269929583e+00 2.24 -2.510675755e+00 -2.510675755e+00 2.26 -2.727160000e+00 -2.727160000e+00 2.28 -2.921123527e+00 -2.921123527e+00 2.30 -3.094196403e+00 -3.094196403e+00 2.32 -3.247911852e+00 -3.247911852e+00 2.34 -3.383721564e+00 -3.383721564e+00 2.36 -3.503001345e+00 -3.503001345e+00 2.38 -3.607042392e+00 -3.607042392e+00 2.40 -3.697035666e+00 -3.697035666e+00 2.42 -3.774063711e+00 -3.774063711e+00 2.44 -3.839110451e+00 -3.839110451e+00 2.46 -3.893084237e+00 -3.893084237e+00 2.48 -3.936846360e+00 -3.936846360e+00 2.50 -3.971237420e+00 -3.971237420e+00 2.52 -3.997084037e+00 -3.997084037e+00 2.54 -4.015193535e+00 -4.015193535e+00 2.56 -4.026571241e+00 -4.026571241e+00 2.58 -4.032070475e+00 -4.032070475e+00 2.60 -4.032734593e+00 -4.032734593e+00 2.62 -4.028911858e+00 -4.028911858e+00 2.64 -4.020499742e+00 -4.020499742e+00 2.66 -4.007495594e+00 -4.007495594e+00 2.68 -3.989968164e+00 -3.989968164e+00 2.70 -3.968038092e+00 -3.968038092e+00 2.72 -3.941870103e+00 -3.941870103e+00 2.74 -3.911691698e+00 -3.911691698e+00 2.76 -3.877770370e+00 -3.877770370e+00 2.78 -3.840392537e+00 -3.840392537e+00 2.80 -3.799837513e+00 -3.799837513e+00 2.82 -3.756364656e+00 -3.756364656e+00 2.84 -3.710208315e+00 -3.710208315e+00 2.86 -3.661579343e+00 -3.661579343e+00 2.88 -3.610671784e+00 -3.610671784e+00 2.90 -3.557671627e+00 -3.557671627e+00 2.92 -3.502764539e+00 -3.502764539e+00 2.94 -3.446140847e+00 -3.446140847e+00 2.96 -3.387997787e+00 -3.387997787e+00 2.98 -3.328540170e+00 -3.328540170e+00 3.00 -3.267980717e+00 -3.267980717e+00 3.02 -3.206540450e+00 -3.206540450e+00 3.04 -3.144448340e+00 -3.144448340e+00 3.06 -3.081938841e+00 -3.081938841e+00 3.08 -3.019246171e+00 -3.019246171e+00 3.10 -2.956595728e+00 -2.956595728e+00 3.12 -2.894194160e+00 -2.894194160e+00 3.14 -2.832220534e+00 -2.832220534e+00 3.16 -2.770820587e+00 -2.770820587e+00 3.18 -2.710105159e+00 -2.710105159e+00 3.20 -2.650152455e+00 -2.650152455e+00 3.22 -2.591012978e+00 -2.591012978e+00 3.24 -2.532715711e+00 -2.532715711e+00 3.26 -2.475274285e+00 -2.475274285e+00 3.28 -2.418692328e+00 -2.418692328e+00 3.30 -2.362967624e+00 -2.362967624e+00 3.32 -2.308095041e+00 -2.308095041e+00 3.34 -2.254068363e+00 -2.254068363e+00 3.36 -2.200881241e+00 -2.200881241e+00 3.38 -2.148527480e+00 -2.148527480e+00 3.40 -2.097000880e+00 -2.097000880e+00 3.42 -2.046294814e+00 -2.046294814e+00 3.44 -1.996401684e+00 -1.996401684e+00 3.46 -1.947312428e+00 -1.947312428e+00 3.48 -1.899016145e+00 -1.899016145e+00 3.50 -1.851499928e+00 -1.851499928e+00 3.52 -1.804748930e+00 -1.804748930e+00 3.54 -1.758746634e+00 -1.758746634e+00 3.56 -1.713475305e+00 -1.713475305e+00 3.58 -1.668916508e+00 -1.668916508e+00 3.60 -1.625051663e+00 -1.625051663e+00 3.62 -1.581862537e+00 -1.581862537e+00 3.64 -1.539331688e+00 -1.539331688e+00 3.66 -1.497442857e+00 -1.497442857e+00 3.68 -1.456181392e+00 -1.456181392e+00 3.70 -1.415534752e+00 -1.415534752e+00 3.72 -1.375493183e+00 -1.375493183e+00 3.74 -1.336050564e+00 -1.336050564e+00 3.76 -1.297205392e+00 -1.297205392e+00 3.78 -1.258961768e+00 -1.258961768e+00 3.80 -1.221330170e+00 -1.221330170e+00 3.82 -1.184327764e+00 -1.184327764e+00 3.84 -1.147977991e+00 -1.147977991e+00 3.86 -1.112309268e+00 -1.112309268e+00 3.88 -1.077352777e+00 -1.077352777e+00 3.90 -1.043139544e+00 -1.043139544e+00 3.92 -1.009697169e+00 -1.009697169e+00 3.94 -9.770467397e-01 -9.770467397e-01 3.96 -9.452003800e-01 -9.452003800e-01 3.98 -9.141598789e-01 -9.141598789e-01 4.00 -8.839165159e-01 -8.839165159e-01 4.02 -8.544520213e-01 -8.544520213e-01 4.04 -8.257403957e-01 -8.257403957e-01 4.06 -7.977502004e-01 -7.977502004e-01 4.08 -7.704469275e-01 -7.704469275e-01 4.10 -7.437951200e-01 -7.437951200e-01 4.12 -7.177601052e-01 -7.177601052e-01 4.14 -6.923091295e-01 -6.923091295e-01 4.16 -6.674121538e-01 -6.674121538e-01 4.18 -6.430422766e-01 -6.430422766e-01 4.20 -6.191760059e-01 -6.191760059e-01 4.22 -5.957934971e-01 -5.957934971e-01 4.24 -5.728788366e-01 -5.728788366e-01 4.26 -5.504203798e-01 -5.504203798e-01 4.28 -5.284110986e-01 -5.284110986e-01 4.30 -5.068488595e-01 -5.068488595e-01 4.32 -4.857365529e-01 -4.857365529e-01 4.34 -4.650820157e-01 -4.650820157e-01 4.36 -4.448977219e-01 -4.448977219e-01 4.38 -4.252002376e-01 -4.252002376e-01 4.40 -4.060094496e-01 -4.060094496e-01 4.42 -3.873475728e-01 -3.873475728e-01 4.44 -3.692379354e-01 -3.692379354e-01 4.46 -3.517035486e-01 -3.517035486e-01 4.48 -3.347654975e-01 -3.347654975e-01 4.50 -3.184412388e-01 -3.184412388e-01 4.52 -3.027429469e-01 -3.027429469e-01 4.54 -2.876760905e-01 -2.876760905e-01 4.56 -2.732384278e-01 -2.732384278e-01 4.58 -2.594195735e-01 -2.594195735e-01 4.60 -2.462012147e-01 -2.462012147e-01 4.62 -2.335579671e-01 -2.335579671e-01 4.64 -2.214587498e-01 -2.214587498e-01 4.66 -2.098685092e-01 -2.098685092e-01 4.68 -1.987501178e-01 -1.987501178e-01 4.70 -1.880662470e-01 -1.880662470e-01 4.72 -1.777810207e-01 -1.777810207e-01 4.74 -1.678611103e-01 -1.678611103e-01 4.76 -1.582771932e-01 -1.582771932e-01 4.78 -1.490044769e-01 -1.490044769e-01 4.80 -1.400228934e-01 -1.400228934e-01 4.82 -1.313172271e-01 -1.313172271e-01 4.84 -1.228768956e-01 -1.228768956e-01 4.86 -1.146958327e-01 -1.146958327e-01 4.88 -1.067722445e-01 -1.067722445e-01 4.90 -9.910829120e-02 -9.910829120e-02 4.92 -9.170968159e-02 -9.170968159e-02 4.94 -8.458515426e-02 -8.458515426e-02 4.96 -7.774582347e-02 -7.774582347e-02 4.98 -7.120438111e-02 -7.120438111e-02 5.00 -6.497417174e-02 -6.497417174e-02 5.02 -5.906818623e-02 -5.906818623e-02 5.04 -5.349804351e-02 -5.349804351e-02 5.06 -4.827304297e-02 -4.827304297e-02 5.08 -4.339936942e-02 -4.339936942e-02 5.10 -3.887951689e-02 -3.887951689e-02 5.12 -3.471197204e-02 -3.471197204e-02 5.14 -3.089116698e-02 -3.089116698e-02 5.16 -2.740768196e-02 -2.740768196e-02 5.18 -2.424865527e-02 -2.424865527e-02 5.20 -2.139833925e-02 -2.139833925e-02 5.22 -1.883874525e-02 -1.883874525e-02 5.24 -1.655031572e-02 -1.655031572e-02 5.26 -1.451257283e-02 -1.451257283e-02 5.28 -1.270457466e-02 -1.270457466e-02 5.30 -1.110541924e-02 -1.110541924e-02 5.32 -9.695327633e-03 -9.695327633e-03 5.34 -8.455327702e-03 -8.455327702e-03 5.36 -7.367482286e-03 -7.367482286e-03 5.38 -6.415070480e-03 -6.415070480e-03 5.40 -5.582688277e-03 -5.582688277e-03 5.42 -4.856285456e-03 -4.856285456e-03 5.44 -4.223154169e-03 -4.223154169e-03 5.46 -3.671882651e-03 -3.671882651e-03 5.48 -3.192285199e-03 -3.192285199e-03 5.50 -2.775317405e-03 -2.775317405e-03 5.52 -2.412983574e-03 -2.412983574e-03 5.54 -2.098241530e-03 -2.098241530e-03 5.56 -1.824908555e-03 -1.824908555e-03 5.58 -1.587571041e-03 -1.587571041e-03 5.60 -1.381499501e-03 -1.381499501e-03 5.62 -1.202569924e-03 -1.202569924e-03 5.64 -1.047191909e-03 -1.047191909e-03 5.66 -9.122436626e-04 -9.122436626e-04 5.68 -7.950137038e-04 -7.950137038e-04 5.70 -6.931489205e-04 -6.931489205e-04 5.72 -6.046085600e-04 -6.046085600e-04 5.74 -5.276236572e-04 -5.276236572e-04 5.76 -4.606613994e-04 -4.606613994e-04 5.78 -4.023939264e-04 -4.023939264e-04 5.80 -3.516710885e-04 -3.516710885e-04 5.82 -3.074967120e-04 -3.074967120e-04 5.84 -2.690079602e-04 -2.690079602e-04 5.86 -2.354574114e-04 -2.354574114e-04 5.88 -2.061975182e-04 -2.061975182e-04 5.90 -1.806671424e-04 -1.806671424e-04 5.92 -1.583798998e-04 -1.583798998e-04 5.94 -1.389140762e-04 -1.389140762e-04 5.96 -1.219039080e-04 -1.219039080e-04 5.98 -1.070320452e-04 -1.070320452e-04 6.00 -9.402303647e-05 -9.402303647e-05