# 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 = NiPbPt2 # 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 3.471811565e+02 3.471811565e+02 1.30 3.240441068e+02 3.240441068e+02 1.32 3.024293513e+02 3.024293513e+02 1.34 2.822324781e+02 2.822324781e+02 1.36 2.633556724e+02 2.633556724e+02 1.38 2.457054567e+02 2.457054567e+02 1.40 2.291948993e+02 2.291948993e+02 1.42 2.137460786e+02 2.137460786e+02 1.44 1.992880203e+02 1.992880203e+02 1.46 1.857529662e+02 1.857529662e+02 1.48 1.730761717e+02 1.730761717e+02 1.50 1.611979777e+02 1.611979777e+02 1.52 1.500636205e+02 1.500636205e+02 1.54 1.396204005e+02 1.396204005e+02 1.56 1.298157412e+02 1.298157412e+02 1.58 1.205978733e+02 1.205978733e+02 1.60 1.119179160e+02 1.119179160e+02 1.62 1.037315227e+02 1.037315227e+02 1.64 9.599957167e+01 9.599957167e+01 1.66 8.868824056e+01 8.868824056e+01 1.68 8.176904138e+01 8.176904138e+01 1.70 7.521887316e+01 7.521887316e+01 1.72 6.901952777e+01 6.901952777e+01 1.74 6.316143465e+01 6.316143465e+01 1.76 5.772608639e+01 5.772608639e+01 1.78 5.272039406e+01 5.272039406e+01 1.80 4.811077505e+01 4.811077505e+01 1.82 4.386479420e+01 4.386479420e+01 1.84 3.995265063e+01 3.995265063e+01 1.86 3.634801503e+01 3.634801503e+01 1.88 3.302795919e+01 3.302795919e+01 1.90 2.997204109e+01 2.997204109e+01 1.92 2.716108444e+01 2.716108444e+01 1.94 2.457629377e+01 2.457629377e+01 1.96 2.219912994e+01 2.219912994e+01 1.98 2.001174019e+01 2.001174019e+01 2.00 1.799752077e+01 1.799752077e+01 2.02 1.614147760e+01 1.614147760e+01 2.04 1.443029750e+01 1.443029750e+01 2.06 1.285221137e+01 1.285221137e+01 2.08 1.139676287e+01 1.139676287e+01 2.10 1.005457173e+01 1.005457173e+01 2.12 8.817121257e+00 8.817121257e+00 2.14 7.676604435e+00 7.676604435e+00 2.16 6.625826797e+00 6.625826797e+00 2.18 5.658163559e+00 5.658163559e+00 2.20 4.767544595e+00 4.767544595e+00 2.22 3.948445192e+00 3.948445192e+00 2.24 3.195860793e+00 3.195860793e+00 2.26 2.505262176e+00 2.505262176e+00 2.28 1.872530676e+00 1.872530676e+00 2.30 1.293888506e+00 1.293888506e+00 2.32 7.658198012e-01 7.658198012e-01 2.34 2.850012436e-01 2.850012436e-01 2.36 -1.517542560e-01 -1.517542560e-01 2.38 -5.475331360e-01 -5.475331360e-01 2.40 -9.053355764e-01 -9.053355764e-01 2.42 -1.228072830e+00 -1.228072830e+00 2.44 -1.518554665e+00 -1.518554665e+00 2.46 -1.779470681e+00 -1.779470681e+00 2.48 -2.013371292e+00 -2.013371292e+00 2.50 -2.223240772e+00 -2.223240772e+00 2.52 -2.413388847e+00 -2.413388847e+00 2.54 -2.585362925e+00 -2.585362925e+00 2.56 -2.740395022e+00 -2.740395022e+00 2.58 -2.879666498e+00 -2.879666498e+00 2.60 -3.004272123e+00 -3.004272123e+00 2.62 -3.115194288e+00 -3.115194288e+00 2.64 -3.213297605e+00 -3.213297605e+00 2.66 -3.299336008e+00 -3.299336008e+00 2.68 -3.373975584e+00 -3.373975584e+00 2.70 -3.437818925e+00 -3.437818925e+00 2.72 -3.491426850e+00 -3.491426850e+00 2.74 -3.535330216e+00 -3.535330216e+00 2.76 -3.570033749e+00 -3.570033749e+00 2.78 -3.596014501e+00 -3.596014501e+00 2.80 -3.613719769e+00 -3.613719769e+00 2.82 -3.623567406e+00 -3.623567406e+00 2.84 -3.625943578e+00 -3.625943578e+00 2.86 -3.621168460e+00 -3.621168460e+00 2.88 -3.609570013e+00 -3.609570013e+00 2.90 -3.591532750e+00 -3.591532750e+00 2.92 -3.567515937e+00 -3.567515937e+00 2.94 -3.538064260e+00 -3.538064260e+00 2.96 -3.503805162e+00 -3.503805162e+00 2.98 -3.465429318e+00 -3.465429318e+00 3.00 -3.423655144e+00 -3.423655144e+00 3.02 -3.379183520e+00 -3.379183520e+00 3.04 -3.332652212e+00 -3.332652212e+00 3.06 -3.284603054e+00 -3.284603054e+00 3.08 -3.235461058e+00 -3.235461058e+00 3.10 -3.185537081e+00 -3.185537081e+00 3.12 -3.135041195e+00 -3.135041195e+00 3.14 -3.084109005e+00 -3.084109005e+00 3.16 -3.032820160e+00 -3.032820160e+00 3.18 -2.981223301e+00 -2.981223301e+00 3.20 -2.929350279e+00 -2.929350279e+00 3.22 -2.877225657e+00 -2.877225657e+00 3.24 -2.824871591e+00 -2.824871591e+00 3.26 -2.772309830e+00 -2.772309830e+00 3.28 -2.719562446e+00 -2.719562446e+00 3.30 -2.666652372e+00 -2.666652372e+00 3.32 -2.613604196e+00 -2.613604196e+00 3.34 -2.560445990e+00 -2.560445990e+00 3.36 -2.507255101e+00 -2.507255101e+00 3.38 -2.454185304e+00 -2.454185304e+00 3.40 -2.401371286e+00 -2.401371286e+00 3.42 -2.348902344e+00 -2.348902344e+00 3.44 -2.296856411e+00 -2.296856411e+00 3.46 -2.245301646e+00 -2.245301646e+00 3.48 -2.194296691e+00 -2.194296691e+00 3.50 -2.143890930e+00 -2.143890930e+00 3.52 -2.094124839e+00 -2.094124839e+00 3.54 -2.045030499e+00 -2.045030499e+00 3.56 -1.996632329e+00 -1.996632329e+00 3.58 -1.948947123e+00 -1.948947123e+00 3.60 -1.901981278e+00 -1.901981278e+00 3.62 -1.855734766e+00 -1.855734766e+00 3.64 -1.810204675e+00 -1.810204675e+00 3.66 -1.765385819e+00 -1.765385819e+00 3.68 -1.721271373e+00 -1.721271373e+00 3.70 -1.677853452e+00 -1.677853452e+00 3.72 -1.635123663e+00 -1.635123663e+00 3.74 -1.593073662e+00 -1.593073662e+00 3.76 -1.551695729e+00 -1.551695729e+00 3.78 -1.510983342e+00 -1.510983342e+00 3.80 -1.470931748e+00 -1.470931748e+00 3.82 -1.431538424e+00 -1.431538424e+00 3.84 -1.392803364e+00 -1.392803364e+00 3.86 -1.354729075e+00 -1.354729075e+00 3.88 -1.317320232e+00 -1.317320232e+00 3.90 -1.280582974e+00 -1.280582974e+00 3.92 -1.244523655e+00 -1.244523655e+00 3.94 -1.209149165e+00 -1.209149165e+00 3.96 -1.174464020e+00 -1.174464020e+00 3.98 -1.140471387e+00 -1.140471387e+00 4.00 -1.107172777e+00 -1.107172777e+00 4.02 -1.074568672e+00 -1.074568672e+00 4.04 -1.042659597e+00 -1.042659597e+00 4.06 -1.011447413e+00 -1.011447413e+00 4.08 -9.809365914e-01 -9.809365914e-01 4.10 -9.511345194e-01 -9.511345194e-01 4.12 -9.220545684e-01 -9.220545684e-01 4.14 -8.937114815e-01 -8.937114815e-01 4.16 -8.661232184e-01 -8.661232184e-01 4.18 -8.393082628e-01 -8.393082628e-01 4.20 -8.132832127e-01 -8.132832127e-01 4.22 -7.880601686e-01 -7.880601686e-01 4.24 -7.636442901e-01 -7.636442901e-01 4.26 -7.400318740e-01 -7.400318740e-01 4.28 -7.172092168e-01 -7.172092168e-01 4.30 -6.951523812e-01 -6.951523812e-01 4.32 -6.738278333e-01 -6.738278333e-01 4.34 -6.531937775e-01 -6.531937775e-01 4.36 -6.332019363e-01 -6.332019363e-01 4.38 -6.137994920e-01 -6.137994920e-01 4.40 -5.949309421e-01 -5.949309421e-01 4.42 -5.765396806e-01 -5.765396806e-01 4.44 -5.585692036e-01 -5.585692036e-01 4.46 -5.409639194e-01 -5.409639194e-01 4.48 -5.236696110e-01 -5.236696110e-01 4.50 -5.066336494e-01 -5.066336494e-01 4.52 -4.898050850e-01 -4.898050850e-01 4.54 -4.731347486e-01 -4.731347486e-01 4.56 -4.565754834e-01 -4.565754834e-01 4.58 -4.400826046e-01 -4.400826046e-01 4.60 -4.236146475e-01 -4.236146475e-01 4.62 -4.071344288e-01 -4.071344288e-01 4.64 -3.906104076e-01 -3.906104076e-01 4.66 -3.740182921e-01 -3.740182921e-01 4.68 -3.573428041e-01 -3.573428041e-01 4.70 -3.405794741e-01 -3.405794741e-01 4.72 -3.237363093e-01 -3.237363093e-01 4.74 -3.068351465e-01 -3.068351465e-01 4.76 -2.899124896e-01 -2.899124896e-01 4.78 -2.730196328e-01 -2.730196328e-01 4.80 -2.562211949e-01 -2.562211949e-01 4.82 -2.395963499e-01 -2.395963499e-01 4.84 -2.232315001e-01 -2.232315001e-01 4.86 -2.072199172e-01 -2.072199172e-01 4.88 -1.916566943e-01 -1.916566943e-01 4.90 -1.766342386e-01 -1.766342386e-01 4.92 -1.622378531e-01 -1.622378531e-01 4.94 -1.485418007e-01 -1.485418007e-01 4.96 -1.356061875e-01 -1.356061875e-01 4.98 -1.234748978e-01 -1.234748978e-01 5.00 -1.121746800e-01 -1.121746800e-01 5.02 -1.017153495e-01 -1.017153495e-01 5.04 -9.209095834e-02 -9.209095834e-02 5.06 -8.328170426e-02 -8.328170426e-02 5.08 -7.525631928e-02 -7.525631928e-02 5.10 -6.797467801e-02 -6.797467801e-02 5.12 -6.139040178e-02 -6.139040178e-02 5.14 -5.545327636e-02 -5.545327636e-02 5.16 -5.011138713e-02 -5.011138713e-02 5.18 -4.531288849e-02 -4.531288849e-02 5.20 -4.100737898e-02 -4.100737898e-02 5.22 -3.714691041e-02 -3.714691041e-02 5.24 -3.368666478e-02 -3.368666478e-02 5.26 -3.058516346e-02 -3.058516346e-02 5.28 -2.780421392e-02 -2.780421392e-02 5.30 -2.531033775e-02 -2.531033775e-02 5.32 -2.307337887e-02 -2.307337887e-02 5.34 -2.106622939e-02 -2.106622939e-02 5.36 -1.926462743e-02 -1.926462743e-02 5.38 -1.764685627e-02 -1.764685627e-02 5.40 -1.619342553e-02 -1.619342553e-02 5.42 -1.488713025e-02 -1.488713025e-02 5.44 -1.371254507e-02 -1.371254507e-02 5.46 -1.265579261e-02 -1.265579261e-02 5.48 -1.170436913e-02 -1.170436913e-02 5.50 -1.084699553e-02 -1.084699553e-02 5.52 -1.007349161e-02 -1.007349161e-02 5.54 -9.374669586e-03 -9.374669586e-03 5.56 -8.742243261e-03 -8.742243261e-03 5.58 -8.168748957e-03 -8.168748957e-03 5.60 -7.647475138e-03 -7.647475138e-03 5.62 -7.172398462e-03 -7.172398462e-03 5.64 -6.738127324e-03 -6.738127324e-03 5.66 -6.339846403e-03 -6.339846403e-03 5.68 -5.973265768e-03 -5.973265768e-03 5.70 -5.634573479e-03 -5.634573479e-03 5.72 -5.320391486e-03 -5.320391486e-03 5.74 -5.027734886e-03 -5.027734886e-03 5.76 -4.753974567e-03 -4.753974567e-03 5.78 -4.496803280e-03 -4.496803280e-03 5.80 -4.254205083e-03 -4.254205083e-03 5.82 -4.024428045e-03 -4.024428045e-03 5.84 -3.805960008e-03 -3.805960008e-03 5.86 -3.597507118e-03 -3.597507118e-03 5.88 -3.397974793e-03 -3.397974793e-03 5.90 -3.206450703e-03 -3.206450703e-03 5.92 -3.022189313e-03 -3.022189313e-03 5.94 -2.844643756e-03 -2.844643756e-03 5.96 -2.673618941e-03 -2.673618941e-03 5.98 -2.508763715e-03 -2.508763715e-03 6.00 -2.349788484e-03 -2.349788484e-03