# 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 = Co2FePd # 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 1.909710663e+02 1.909710663e+02 1.30 1.751827926e+02 1.751827926e+02 1.32 1.606660805e+02 1.606660805e+02 1.34 1.473142822e+02 1.473142822e+02 1.36 1.350285381e+02 1.350285381e+02 1.38 1.237172982e+02 1.237172982e+02 1.40 1.132965824e+02 1.132965824e+02 1.42 1.036904638e+02 1.036904638e+02 1.44 9.483113948e+01 9.483113948e+01 1.46 8.665837642e+01 8.665837642e+01 1.48 7.911841800e+01 7.911841800e+01 1.50 7.216255632e+01 7.216255632e+01 1.52 6.574580373e+01 6.574580373e+01 1.54 5.982610231e+01 5.982610231e+01 1.56 5.436411143e+01 5.436411143e+01 1.58 4.932328263e+01 4.932328263e+01 1.60 4.466996396e+01 4.466996396e+01 1.62 4.037344562e+01 4.037344562e+01 1.64 3.641635437e+01 3.641635437e+01 1.66 3.278666466e+01 3.278666466e+01 1.68 2.945897697e+01 2.945897697e+01 1.70 2.640941931e+01 2.640941931e+01 1.72 2.361563522e+01 2.361563522e+01 1.74 2.105666307e+01 2.105666307e+01 1.76 1.871298015e+01 1.871298015e+01 1.78 1.656663042e+01 1.656663042e+01 1.80 1.460131287e+01 1.460131287e+01 1.82 1.280232694e+01 1.280232694e+01 1.84 1.115637265e+01 1.115637265e+01 1.86 9.651300343e+00 9.651300343e+00 1.88 8.275906004e+00 8.275906004e+00 1.90 7.019802669e+00 7.019802669e+00 1.92 5.873349320e+00 5.873349320e+00 1.94 4.827612416e+00 4.827612416e+00 1.96 3.874339982e+00 3.874339982e+00 1.98 3.005929948e+00 3.005929948e+00 2.00 2.215387512e+00 2.215387512e+00 2.02 1.496283340e+00 1.496283340e+00 2.04 8.427218404e-01 8.427218404e-01 2.06 2.493143326e-01 2.493143326e-01 2.08 -2.888519439e-01 -2.888519439e-01 2.10 -7.762518207e-01 -7.762518207e-01 2.12 -1.216964380e+00 -1.216964380e+00 2.14 -1.614714217e+00 -1.614714217e+00 2.16 -1.972906618e+00 -1.972906618e+00 2.18 -2.294654246e+00 -2.294654246e+00 2.20 -2.582797849e+00 -2.582797849e+00 2.22 -2.839926578e+00 -2.839926578e+00 2.24 -3.068401803e+00 -3.068401803e+00 2.26 -3.270384053e+00 -3.270384053e+00 2.28 -3.447860187e+00 -3.447860187e+00 2.30 -3.602668192e+00 -3.602668192e+00 2.32 -3.736518252e+00 -3.736518252e+00 2.34 -3.851009671e+00 -3.851009671e+00 2.36 -3.947643722e+00 -3.947643722e+00 2.38 -4.027833028e+00 -4.027833028e+00 2.40 -4.092950036e+00 -4.092950036e+00 2.42 -4.144315004e+00 -4.144315004e+00 2.44 -4.183000202e+00 -4.183000202e+00 2.46 -4.210042545e+00 -4.210042545e+00 2.48 -4.226467509e+00 -4.226467509e+00 2.50 -4.233645025e+00 -4.233645025e+00 2.52 -4.232538253e+00 -4.232538253e+00 2.54 -4.223822849e+00 -4.223822849e+00 2.56 -4.208054263e+00 -4.208054263e+00 2.58 -4.185702243e+00 -4.185702243e+00 2.60 -4.157264004e+00 -4.157264004e+00 2.62 -4.123241349e+00 -4.123241349e+00 2.64 -4.084153386e+00 -4.084153386e+00 2.66 -4.040515391e+00 -4.040515391e+00 2.68 -3.992765825e+00 -3.992765825e+00 2.70 -3.941222687e+00 -3.941222687e+00 2.72 -3.886050886e+00 -3.886050886e+00 2.74 -3.827402784e+00 -3.827402784e+00 2.76 -3.765449014e+00 -3.765449014e+00 2.78 -3.700385737e+00 -3.700385737e+00 2.80 -3.632438696e+00 -3.632438696e+00 2.82 -3.561864279e+00 -3.561864279e+00 2.84 -3.488947987e+00 -3.488947987e+00 2.86 -3.414000517e+00 -3.414000517e+00 2.88 -3.337351571e+00 -3.337351571e+00 2.90 -3.259341577e+00 -3.259341577e+00 2.92 -3.180311841e+00 -3.180311841e+00 2.94 -3.100594171e+00 -3.100594171e+00 2.96 -3.020501431e+00 -3.020501431e+00 2.98 -2.940320446e+00 -2.940320446e+00 3.00 -2.860307964e+00 -2.860307964e+00 3.02 -2.780689241e+00 -2.780689241e+00 3.04 -2.701657927e+00 -2.701657927e+00 3.06 -2.623376010e+00 -2.623376010e+00 3.08 -2.545973610e+00 -2.545973610e+00 3.10 -2.469549632e+00 -2.469549632e+00 3.12 -2.394174826e+00 -2.394174826e+00 3.14 -2.319898057e+00 -2.319898057e+00 3.16 -2.246755299e+00 -2.246755299e+00 3.18 -2.174779728e+00 -2.174779728e+00 3.20 -2.104010890e+00 -2.104010890e+00 3.22 -2.034501345e+00 -2.034501345e+00 3.24 -1.966319853e+00 -1.966319853e+00 3.26 -1.899550985e+00 -1.899550985e+00 3.28 -1.834291576e+00 -1.834291576e+00 3.30 -1.770644851e+00 -1.770644851e+00 3.32 -1.708713251e+00 -1.708713251e+00 3.34 -1.648591033e+00 -1.648591033e+00 3.36 -1.590357636e+00 -1.590357636e+00 3.38 -1.534072559e+00 -1.534072559e+00 3.40 -1.479772227e+00 -1.479772227e+00 3.42 -1.427468939e+00 -1.427468939e+00 3.44 -1.377151717e+00 -1.377151717e+00 3.46 -1.328788653e+00 -1.328788653e+00 3.48 -1.282330243e+00 -1.282330243e+00 3.50 -1.237713185e+00 -1.237713185e+00 3.52 -1.194864205e+00 -1.194864205e+00 3.54 -1.153703580e+00 -1.153703580e+00 3.56 -1.114148153e+00 -1.114148153e+00 3.58 -1.076113775e+00 -1.076113775e+00 3.60 -1.039517142e+00 -1.039517142e+00 3.62 -1.004277128e+00 -1.004277128e+00 3.64 -9.703156790e-01 -9.703156790e-01 3.66 -9.375583752e-01 -9.375583752e-01 3.68 -9.059347609e-01 -9.059347609e-01 3.70 -8.753785061e-01 -8.753785061e-01 3.72 -8.458274584e-01 -8.458274584e-01 3.74 -8.172236164e-01 -8.172236164e-01 3.76 -7.895130423e-01 -7.895130423e-01 3.78 -7.626457225e-01 -7.626457225e-01 3.80 -7.365753816e-01 -7.365753816e-01 3.82 -7.112592595e-01 -7.112592595e-01 3.84 -6.866578673e-01 -6.866578673e-01 3.86 -6.627347422e-01 -6.627347422e-01 3.88 -6.394562306e-01 -6.394562306e-01 3.90 -6.167913280e-01 -6.167913280e-01 3.92 -5.947116020e-01 -5.947116020e-01 3.94 -5.731912176e-01 -5.731912176e-01 3.96 -5.522070716e-01 -5.522070716e-01 3.98 -5.317390266e-01 -5.317390266e-01 4.00 -5.117702140e-01 -5.117702140e-01 4.02 -4.922873571e-01 -4.922873571e-01 4.04 -4.732810475e-01 -4.732810475e-01 4.06 -4.547459017e-01 -4.547459017e-01 4.08 -4.366805287e-01 -4.366805287e-01 4.10 -4.190872598e-01 -4.190872598e-01 4.12 -4.019716314e-01 -4.019716314e-01 4.14 -3.853416466e-01 -3.853416466e-01 4.16 -3.692068963e-01 -3.692068963e-01 4.18 -3.535776306e-01 -3.535776306e-01 4.20 -3.384638767e-01 -3.384638767e-01 4.22 -3.238746652e-01 -3.238746652e-01 4.24 -3.098173814e-01 -3.098173814e-01 4.26 -2.962972088e-01 -2.962972088e-01 4.28 -2.833166110e-01 -2.833166110e-01 4.30 -2.708748075e-01 -2.708748075e-01 4.32 -2.589672391e-01 -2.589672391e-01 4.34 -2.475850743e-01 -2.475850743e-01 4.36 -2.367148499e-01 -2.367148499e-01 4.38 -2.263383437e-01 -2.263383437e-01 4.40 -2.164327563e-01 -2.164327563e-01 4.42 -2.069712166e-01 -2.069712166e-01 4.44 -1.979235705e-01 -1.979235705e-01 4.46 -1.892573630e-01 -1.892573630e-01 4.48 -1.809389082e-01 -1.809389082e-01 4.50 -1.729343424e-01 -1.729343424e-01 4.52 -1.652105889e-01 -1.652105889e-01 4.54 -1.577361860e-01 -1.577361860e-01 4.56 -1.504819672e-01 -1.504819672e-01 4.58 -1.434215961e-01 -1.434215961e-01 4.60 -1.365319732e-01 -1.365319732e-01 4.62 -1.297935326e-01 -1.297935326e-01 4.64 -1.231904391e-01 -1.231904391e-01 4.66 -1.167106940e-01 -1.167106940e-01 4.68 -1.103461481e-01 -1.103461481e-01 4.70 -1.040924191e-01 -1.040924191e-01 4.72 -9.794871253e-02 -9.794871253e-02 4.74 -9.191755032e-02 -9.191755032e-02 4.76 -8.600442084e-02 -8.600442084e-02 4.78 -8.021737407e-02 -8.021737407e-02 4.80 -7.456659029e-02 -7.456659029e-02 4.82 -6.906395345e-02 -6.906395345e-02 4.84 -6.372264454e-02 -6.372264454e-02 4.86 -5.855676868e-02 -5.855676868e-02 4.88 -5.358099670e-02 -5.358099670e-02 4.90 -4.881019529e-02 -4.881019529e-02 4.92 -4.425901410e-02 -4.425901410e-02 4.94 -3.994118559e-02 -3.994118559e-02 4.96 -3.586935348e-02 -3.586935348e-02 4.98 -3.205447407e-02 -3.205447407e-02 5.00 -2.850488693e-02 -2.850488693e-02 5.02 -2.522576366e-02 -2.522576366e-02 5.04 -2.221869462e-02 -2.221869462e-02 5.06 -1.948147609e-02 -1.948147609e-02 5.08 -1.700787875e-02 -1.700787875e-02 5.10 -1.478823603e-02 -1.478823603e-02 5.12 -1.281033900e-02 -1.281033900e-02 5.14 -1.105942387e-02 -1.105942387e-02 5.16 -9.518888785e-03 -9.518888785e-03 5.18 -8.171024184e-03 -8.171024184e-03 5.20 -6.997688989e-03 -6.997688989e-03 5.22 -5.980892177e-03 -5.980892177e-03 5.24 -5.103258428e-03 -5.103258428e-03 5.26 -4.348372823e-03 -4.348372823e-03 5.28 -3.701011732e-03 -3.701011732e-03 5.30 -3.147274636e-03 -3.147274636e-03 5.32 -2.674635191e-03 -2.674635191e-03 5.34 -2.271930459e-03 -2.271930459e-03 5.36 -1.929305821e-03 -1.929305821e-03 5.38 -1.638130610e-03 -1.638130610e-03 5.40 -1.390896633e-03 -1.390896633e-03 5.42 -1.181108893e-03 -1.181108893e-03 5.44 -1.003175313e-03 -1.003175313e-03 5.46 -8.523000901e-04 -8.523000901e-04 5.48 -7.243836697e-04 -7.243836697e-04 5.50 -6.159310208e-04 -6.159310208e-04 5.52 -5.239689641e-04 -5.239689641e-04 5.54 -4.459726713e-04 -4.459726713e-04 5.56 -3.798010156e-04 -3.798010156e-04 5.58 -3.236401985e-04 -3.236401985e-04 5.60 -2.759549379e-04 -2.759549379e-04 5.62 -2.354464408e-04 -2.354464408e-04 5.64 -2.010163856e-04 -2.010163856e-04 5.66 -1.717361694e-04 -1.717361694e-04 5.68 -1.468207303e-04 -1.468207303e-04 5.70 -1.256063187e-04 -1.256063187e-04 5.72 -1.075316586e-04 -1.075316586e-04 5.74 -9.212200639e-05 -9.212200639e-05 5.76 -7.897567733e-05 -7.897567733e-05 5.78 -6.775266882e-05 -6.775266882e-05 5.80 -5.816505947e-05 -5.816505947e-05 5.82 -4.996891106e-05 -4.996891106e-05 5.84 -4.295743971e-05 -4.295743971e-05 5.86 -3.695525802e-05 -3.695525802e-05 5.88 -3.181352029e-05 -3.181352029e-05 5.90 -2.740582854e-05 -2.740582854e-05 5.92 -2.362477953e-05 -2.362477953e-05 5.94 -2.037905142e-05 -2.037905142e-05 5.96 -1.759094500e-05 -1.759094500e-05 5.98 -1.519430763e-05 -1.519430763e-05 6.00 -1.313277950e-05 -1.313277950e-05