# 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 = CuFe2Mg # 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 2.257457161e+02 2.257457161e+02 1.30 2.070746215e+02 2.070746215e+02 1.32 1.899323970e+02 1.899323970e+02 1.34 1.741808848e+02 1.741808848e+02 1.36 1.596983610e+02 1.596983610e+02 1.38 1.463781028e+02 1.463781028e+02 1.40 1.341257283e+02 1.341257283e+02 1.42 1.228565439e+02 1.228565439e+02 1.44 1.124935020e+02 1.124935020e+02 1.46 1.029658374e+02 1.029658374e+02 1.48 9.420821969e+01 9.420821969e+01 1.50 8.616022738e+01 8.616022738e+01 1.52 7.876598004e+01 7.876598004e+01 1.54 7.197376333e+01 7.197376333e+01 1.56 6.573552806e+01 6.573552806e+01 1.58 6.000650322e+01 6.000650322e+01 1.60 5.474543246e+01 5.474543246e+01 1.62 4.991405082e+01 4.991405082e+01 1.64 4.547738054e+01 4.547738054e+01 1.66 4.140342779e+01 4.140342779e+01 1.68 3.766260537e+01 3.766260537e+01 1.70 3.422734066e+01 3.422734066e+01 1.72 3.107182247e+01 3.107182247e+01 1.74 2.817196944e+01 2.817196944e+01 1.76 2.550560062e+01 2.550560062e+01 1.78 2.305267021e+01 2.305267021e+01 1.80 2.079537912e+01 2.079537912e+01 1.82 1.871806501e+01 1.871806501e+01 1.84 1.680689541e+01 1.680689541e+01 1.86 1.504948664e+01 1.504948664e+01 1.88 1.343455089e+01 1.343455089e+01 1.90 1.195162902e+01 1.195162902e+01 1.92 1.059090974e+01 1.059090974e+01 1.94 9.343120007e+00 9.343120007e+00 1.96 8.199468438e+00 8.199468438e+00 1.98 7.151630936e+00 7.151630936e+00 2.00 6.191764422e+00 6.191764422e+00 2.02 5.312537835e+00 5.312537835e+00 2.04 4.507171654e+00 4.507171654e+00 2.06 3.769472121e+00 3.769472121e+00 2.08 3.093843845e+00 3.093843845e+00 2.10 2.475271214e+00 2.475271214e+00 2.12 1.909268901e+00 1.909268901e+00 2.14 1.391811208e+00 1.391811208e+00 2.16 9.192541822e-01 9.192541822e-01 2.18 4.882600685e-01 4.882600685e-01 2.20 9.573378666e-02 9.573378666e-02 2.22 -2.612256519e-01 -2.612256519e-01 2.24 -5.853552428e-01 -5.853552428e-01 2.26 -8.792429899e-01 -8.792429899e-01 2.28 -1.145333964e+00 -1.145333964e+00 2.30 -1.385928622e+00 -1.385928622e+00 2.32 -1.603178741e+00 -1.603178741e+00 2.34 -1.799073664e+00 -1.799073664e+00 2.36 -1.975425663e+00 -1.975425663e+00 2.38 -2.133858074e+00 -2.133858074e+00 2.40 -2.275806211e+00 -2.275806211e+00 2.42 -2.402536314e+00 -2.402536314e+00 2.44 -2.515175923e+00 -2.515175923e+00 2.46 -2.614847204e+00 -2.614847204e+00 2.48 -2.702599164e+00 -2.702599164e+00 2.50 -2.778981425e+00 -2.778981425e+00 2.52 -2.844551979e+00 -2.844551979e+00 2.54 -2.899892591e+00 -2.899892591e+00 2.56 -2.945599443e+00 -2.945599443e+00 2.58 -2.982198992e+00 -2.982198992e+00 2.60 -3.009972654e+00 -3.009972654e+00 2.62 -3.029232583e+00 -3.029232583e+00 2.64 -3.040350032e+00 -3.040350032e+00 2.66 -3.043727012e+00 -3.043727012e+00 2.68 -3.039791994e+00 -3.039791994e+00 2.70 -3.028996643e+00 -3.028996643e+00 2.72 -3.011812550e+00 -3.011812550e+00 2.74 -2.988726552e+00 -2.988726552e+00 2.76 -2.960234712e+00 -2.960234712e+00 2.78 -2.926836086e+00 -2.926836086e+00 2.80 -2.889028427e+00 -2.889028427e+00 2.82 -2.847304378e+00 -2.847304378e+00 2.84 -2.802149951e+00 -2.802149951e+00 2.86 -2.754041367e+00 -2.754041367e+00 2.88 -2.703439688e+00 -2.703439688e+00 2.90 -2.650782747e+00 -2.650782747e+00 2.92 -2.596475421e+00 -2.596475421e+00 2.94 -2.540880152e+00 -2.540880152e+00 2.96 -2.484328478e+00 -2.484328478e+00 2.98 -2.427078680e+00 -2.427078680e+00 3.00 -2.369301338e+00 -2.369301338e+00 3.02 -2.311124529e+00 -2.311124529e+00 3.04 -2.252639309e+00 -2.252639309e+00 3.06 -2.193908353e+00 -2.193908353e+00 3.08 -2.134962463e+00 -2.134962463e+00 3.10 -2.075748532e+00 -2.075748532e+00 3.12 -2.016190799e+00 -2.016190799e+00 3.14 -1.956235961e+00 -1.956235961e+00 3.16 -1.895859708e+00 -1.895859708e+00 3.18 -1.835075880e+00 -1.835075880e+00 3.20 -1.773943224e+00 -1.773943224e+00 3.22 -1.712570659e+00 -1.712570659e+00 3.24 -1.651119662e+00 -1.651119662e+00 3.26 -1.589802714e+00 -1.589802714e+00 3.28 -1.528876997e+00 -1.528876997e+00 3.30 -1.468633191e+00 -1.468633191e+00 3.32 -1.409380004e+00 -1.409380004e+00 3.34 -1.351425999e+00 -1.351425999e+00 3.36 -1.295060897e+00 -1.295060897e+00 3.38 -1.240538737e+00 -1.240538737e+00 3.40 -1.188064827e+00 -1.188064827e+00 3.42 -1.137788104e+00 -1.137788104e+00 3.44 -1.089798162e+00 -1.089798162e+00 3.46 -1.044127834e+00 -1.044127834e+00 3.48 -1.000759090e+00 -1.000759090e+00 3.50 -9.596313853e-01 -9.596313853e-01 3.52 -9.206510631e-01 -9.206510631e-01 3.54 -8.837007583e-01 -8.837007583e-01 3.56 -8.486480375e-01 -8.486480375e-01 3.58 -8.153528449e-01 -8.153528449e-01 3.60 -7.836735881e-01 -7.836735881e-01 3.62 -7.534719028e-01 -7.534719028e-01 3.64 -7.246162549e-01 -7.246162549e-01 3.66 -6.969846015e-01 -6.969846015e-01 3.68 -6.704663311e-01 -6.704663311e-01 3.70 -6.449636692e-01 -6.449636692e-01 3.72 -6.203926724e-01 -6.203926724e-01 3.74 -5.966838519e-01 -5.966838519e-01 3.76 -5.737823941e-01 -5.737823941e-01 3.78 -5.516478781e-01 -5.516478781e-01 3.80 -5.302533662e-01 -5.302533662e-01 3.82 -5.095837632e-01 -5.095837632e-01 3.84 -4.896334223e-01 -4.896334223e-01 3.86 -4.704030988e-01 -4.704030988e-01 3.88 -4.518964992e-01 -4.518964992e-01 3.90 -4.341167900e-01 -4.341167900e-01 3.92 -4.170633775e-01 -4.170633775e-01 3.94 -4.007299391e-01 -4.007299391e-01 3.96 -3.851023469e-01 -3.851023469e-01 3.98 -3.701587473e-01 -3.701587473e-01 4.00 -3.558699531e-01 -3.558699531e-01 4.02 -3.422006008e-01 -3.422006008e-01 4.04 -3.291107453e-01 -3.291107453e-01 4.06 -3.165573445e-01 -3.165573445e-01 4.08 -3.044950151e-01 -3.044950151e-01 4.10 -2.928802583e-01 -2.928802583e-01 4.12 -2.816715587e-01 -2.816715587e-01 4.14 -2.708276472e-01 -2.708276472e-01 4.16 -2.603100499e-01 -2.603100499e-01 4.18 -2.500832859e-01 -2.500832859e-01 4.20 -2.401153512e-01 -2.401153512e-01 4.22 -2.303781306e-01 -2.303781306e-01 4.24 -2.208477941e-01 -2.208477941e-01 4.26 -2.115052023e-01 -2.115052023e-01 4.28 -2.023363155e-01 -2.023363155e-01 4.30 -1.933325769e-01 -1.933325769e-01 4.32 -1.844912131e-01 -1.844912131e-01 4.34 -1.758153790e-01 -1.758153790e-01 4.36 -1.673140675e-01 -1.673140675e-01 4.38 -1.590017113e-01 -1.590017113e-01 4.40 -1.508974270e-01 -1.508974270e-01 4.42 -1.430238945e-01 -1.430238945e-01 4.44 -1.354059155e-01 -1.354059155e-01 4.46 -1.280687493e-01 -1.280687493e-01 4.48 -1.210363714e-01 -1.210363714e-01 4.50 -1.143298229e-01 -1.143298229e-01 4.52 -1.079658149e-01 -1.079658149e-01 4.54 -1.019557187e-01 -1.019557187e-01 4.56 -9.630501941e-02 -9.630501941e-02 4.58 -9.101324315e-02 -9.101324315e-02 4.60 -8.607431026e-02 -8.607431026e-02 4.62 -8.147722257e-02 -8.147722257e-02 4.64 -7.720696872e-02 -7.720696872e-02 4.66 -7.324553024e-02 -7.324553024e-02 4.68 -6.957288582e-02 -6.957288582e-02 4.70 -6.616793564e-02 -6.616793564e-02 4.72 -6.300929565e-02 -6.300929565e-02 4.74 -6.007593724e-02 -6.007593724e-02 4.76 -5.734766902e-02 -5.734766902e-02 4.78 -5.480547150e-02 -5.480547150e-02 4.80 -5.243149880e-02 -5.243149880e-02 4.82 -5.021004164e-02 -5.021004164e-02 4.84 -4.812619419e-02 -4.812619419e-02 4.86 -4.616676162e-02 -4.616676162e-02 4.88 -4.431996520e-02 -4.431996520e-02 4.90 -4.257532349e-02 -4.257532349e-02 4.92 -4.092353814e-02 -4.092353814e-02 4.94 -3.935637671e-02 -3.935637671e-02 4.96 -3.786655688e-02 -3.786655688e-02 4.98 -3.644763640e-02 -3.644763640e-02 5.00 -3.509391003e-02 -3.509391003e-02 5.02 -3.380031662e-02 -3.380031662e-02 5.04 -3.256235576e-02 -3.256235576e-02 5.06 -3.137601396e-02 -3.137601396e-02 5.08 -3.023770018e-02 -3.023770018e-02 5.10 -2.914419021e-02 -2.914419021e-02 5.12 -2.809257910e-02 -2.809257910e-02 5.14 -2.708024106e-02 -2.708024106e-02 5.16 -2.610479620e-02 -2.610479620e-02 5.18 -2.516408330e-02 -2.516408330e-02 5.20 -2.425613823e-02 -2.425613823e-02 5.22 -2.337917713e-02 -2.337917713e-02 5.24 -2.253158408e-02 -2.253158408e-02 5.26 -2.171190218e-02 -2.171190218e-02 5.28 -2.091882768e-02 -2.091882768e-02 5.30 -2.015120593e-02 -2.015120593e-02 5.32 -1.940802843e-02 -1.940802843e-02 5.34 -1.868842952e-02 -1.868842952e-02 5.36 -1.799163540e-02 -1.799163540e-02 5.38 -1.731702420e-02 -1.731702420e-02 5.40 -1.666413618e-02 -1.666413618e-02 5.42 -1.603261512e-02 -1.603261512e-02 5.44 -1.542218902e-02 -1.542218902e-02 5.46 -1.483264664e-02 -1.483264664e-02 5.48 -1.426381076e-02 -1.426381076e-02 5.50 -1.371550989e-02 -1.371550989e-02 5.52 -1.318755044e-02 -1.318755044e-02 5.54 -1.267969165e-02 -1.267969165e-02 5.56 -1.219162513e-02 -1.219162513e-02 5.58 -1.172296060e-02 -1.172296060e-02 5.60 -1.127321867e-02 -1.127321867e-02 5.62 -1.084183051e-02 -1.084183051e-02 5.64 -1.042814373e-02 -1.042814373e-02 5.66 -1.003143315e-02 -1.003143315e-02 5.68 -9.650914936e-03 -9.650914936e-03 5.70 -9.285762312e-03 -9.285762312e-03 5.72 -8.935121475e-03 -8.935121475e-03 5.74 -8.598126541e-03 -8.598126541e-03 5.76 -8.273912673e-03 -8.273912673e-03 5.78 -7.961626999e-03 -7.961626999e-03 5.80 -7.660437177e-03 -7.660437177e-03 5.82 -7.369537755e-03 -7.369537755e-03 5.84 -7.088154601e-03 -7.088154601e-03 5.86 -6.815547802e-03 -6.815547802e-03 5.88 -6.551013465e-03 -6.551013465e-03 5.90 -6.293884821e-03 -6.293884821e-03 5.92 -6.043533049e-03 -6.043533049e-03 5.94 -5.799368153e-03 -5.799368153e-03 5.96 -5.560840181e-03 -5.560840181e-03 5.98 -5.327441022e-03 -5.327441022e-03 6.00 -5.098706931e-03 -5.098706931e-03