# 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 = Cu2MgPd # 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 2.032091661e+02 2.032091661e+02 1.30 1.875767304e+02 1.875767304e+02 1.32 1.731377481e+02 1.731377481e+02 1.34 1.597979656e+02 1.597979656e+02 1.36 1.474701437e+02 1.474701437e+02 1.38 1.360721560e+02 1.360721560e+02 1.40 1.255269918e+02 1.255269918e+02 1.42 1.157640090e+02 1.157640090e+02 1.44 1.067199653e+02 1.067199653e+02 1.46 9.833889400e+01 9.833889400e+01 1.48 9.057092253e+01 9.057092253e+01 1.50 8.337074564e+01 8.337074564e+01 1.52 7.669635727e+01 7.669635727e+01 1.54 7.050825110e+01 7.050825110e+01 1.56 6.477213997e+01 6.477213997e+01 1.58 5.946789473e+01 5.946789473e+01 1.60 5.456245606e+01 5.456245606e+01 1.62 5.002416307e+01 5.002416307e+01 1.64 4.582514306e+01 4.582514306e+01 1.66 4.194087570e+01 4.194087570e+01 1.68 3.834940368e+01 3.834940368e+01 1.70 3.503046583e+01 3.503046583e+01 1.72 3.196485529e+01 3.196485529e+01 1.74 2.913414687e+01 2.913414687e+01 1.76 2.652074757e+01 2.652074757e+01 1.78 2.410808002e+01 2.410808002e+01 1.80 2.188070361e+01 2.188070361e+01 1.82 1.982430913e+01 1.982430913e+01 1.84 1.792562473e+01 1.792562473e+01 1.86 1.617232183e+01 1.617232183e+01 1.88 1.455296919e+01 1.455296919e+01 1.90 1.305704603e+01 1.305704603e+01 1.92 1.167497484e+01 1.167497484e+01 1.94 1.039813678e+01 1.039813678e+01 1.96 9.218837473e+00 9.218837473e+00 1.98 8.130218972e+00 8.130218972e+00 2.00 7.126124737e+00 7.126124737e+00 2.02 6.200943057e+00 6.200943057e+00 2.04 5.349463274e+00 5.349463274e+00 2.06 4.566769492e+00 4.566769492e+00 2.08 3.848180559e+00 3.848180559e+00 2.10 3.189230597e+00 3.189230597e+00 2.12 2.585676931e+00 2.585676931e+00 2.14 2.033516245e+00 2.033516245e+00 2.16 1.528995482e+00 1.528995482e+00 2.18 1.068608164e+00 1.068608164e+00 2.20 6.490792493e-01 6.490792493e-01 2.22 2.673434339e-01 2.673434339e-01 2.24 -7.947495255e-02 -7.947495255e-02 2.26 -3.940805533e-01 -3.940805533e-01 2.28 -6.790274729e-01 -6.790274729e-01 2.30 -9.367389046e-01 -9.367389046e-01 2.32 -1.169521389e+00 -1.169521389e+00 2.34 -1.379557909e+00 -1.379557909e+00 2.36 -1.568884486e+00 -1.568884486e+00 2.38 -1.739358524e+00 -1.739358524e+00 2.40 -1.892639062e+00 -1.892639062e+00 2.42 -2.030190736e+00 -2.030190736e+00 2.44 -2.153331522e+00 -2.153331522e+00 2.46 -2.263566055e+00 -2.263566055e+00 2.48 -2.361887928e+00 -2.361887928e+00 2.50 -2.449086822e+00 -2.449086822e+00 2.52 -2.526271063e+00 -2.526271063e+00 2.54 -2.594170108e+00 -2.594170108e+00 2.56 -2.652943951e+00 -2.652943951e+00 2.58 -2.702804825e+00 -2.702804825e+00 2.60 -2.744007114e+00 -2.744007114e+00 2.62 -2.776871001e+00 -2.776871001e+00 2.64 -2.801777235e+00 -2.801777235e+00 2.66 -2.819140973e+00 -2.819140973e+00 2.68 -2.829446951e+00 -2.829446951e+00 2.70 -2.833256013e+00 -2.833256013e+00 2.72 -2.831148230e+00 -2.831148230e+00 2.74 -2.823703992e+00 -2.823703992e+00 2.76 -2.811484138e+00 -2.811484138e+00 2.78 -2.795009826e+00 -2.795009826e+00 2.80 -2.774748863e+00 -2.774748863e+00 2.82 -2.751110518e+00 -2.751110518e+00 2.84 -2.724451860e+00 -2.724451860e+00 2.86 -2.695090503e+00 -2.695090503e+00 2.88 -2.663319881e+00 -2.663319881e+00 2.90 -2.629422201e+00 -2.629422201e+00 2.92 -2.593675900e+00 -2.593675900e+00 2.94 -2.556356569e+00 -2.556356569e+00 2.96 -2.517732425e+00 -2.517732425e+00 2.98 -2.478056815e+00 -2.478056815e+00 3.00 -2.437560687e+00 -2.437560687e+00 3.02 -2.396447278e+00 -2.396447278e+00 3.04 -2.354889855e+00 -2.354889855e+00 3.06 -2.313033976e+00 -2.313033976e+00 3.08 -2.271015130e+00 -2.271015130e+00 3.10 -2.228924323e+00 -2.228924323e+00 3.12 -2.186823930e+00 -2.186823930e+00 3.14 -2.144765856e+00 -2.144765856e+00 3.16 -2.102792047e+00 -2.102792047e+00 3.18 -2.060936739e+00 -2.060936739e+00 3.20 -2.019227265e+00 -2.019227265e+00 3.22 -1.977685200e+00 -1.977685200e+00 3.24 -1.936324154e+00 -1.936324154e+00 3.26 -1.895133483e+00 -1.895133483e+00 3.28 -1.854097737e+00 -1.854097737e+00 3.30 -1.813208711e+00 -1.813208711e+00 3.32 -1.772465701e+00 -1.772465701e+00 3.34 -1.731875434e+00 -1.731875434e+00 3.36 -1.691451593e+00 -1.691451593e+00 3.38 -1.651214016e+00 -1.651214016e+00 3.40 -1.611187632e+00 -1.611187632e+00 3.42 -1.571401470e+00 -1.571401470e+00 3.44 -1.531887112e+00 -1.531887112e+00 3.46 -1.492677546e+00 -1.492677546e+00 3.48 -1.453805731e+00 -1.453805731e+00 3.50 -1.415303254e+00 -1.415303254e+00 3.52 -1.377199118e+00 -1.377199118e+00 3.54 -1.339518742e+00 -1.339518742e+00 3.56 -1.302283261e+00 -1.302283261e+00 3.58 -1.265509174e+00 -1.265509174e+00 3.60 -1.229208380e+00 -1.229208380e+00 3.62 -1.193388595e+00 -1.193388595e+00 3.64 -1.158054173e+00 -1.158054173e+00 3.66 -1.123207283e+00 -1.123207283e+00 3.68 -1.088849404e+00 -1.088849404e+00 3.70 -1.054983062e+00 -1.054983062e+00 3.72 -1.021613660e+00 -1.021613660e+00 3.74 -9.887512278e-01 -9.887512278e-01 3.76 -9.564118493e-01 -9.564118493e-01 3.78 -9.246184957e-01 -9.246184957e-01 3.80 -8.934010192e-01 -8.934010192e-01 3.82 -8.627951270e-01 -8.627951270e-01 3.84 -8.328403064e-01 -8.328403064e-01 3.86 -8.035768640e-01 -8.035768640e-01 3.88 -7.750424345e-01 -7.750424345e-01 3.90 -7.472684635e-01 -7.472684635e-01 3.92 -7.202771150e-01 -7.202771150e-01 3.94 -6.940796353e-01 -6.940796353e-01 3.96 -6.686749708e-01 -6.686749708e-01 3.98 -6.440507178e-01 -6.440507178e-01 4.00 -6.201846158e-01 -6.201846158e-01 4.02 -5.970468976e-01 -5.970468976e-01 4.04 -5.746029606e-01 -5.746029606e-01 4.06 -5.528159537e-01 -5.528159537e-01 4.08 -5.316489623e-01 -5.316489623e-01 4.10 -5.110663188e-01 -5.110663188e-01 4.12 -4.910356221e-01 -4.910356221e-01 4.14 -4.715262284e-01 -4.715262284e-01 4.16 -4.525102887e-01 -4.525102887e-01 4.18 -4.339619287e-01 -4.339619287e-01 4.20 -4.158567418e-01 -4.158567418e-01 4.22 -3.981714813e-01 -3.981714813e-01 4.24 -3.808841207e-01 -3.808841207e-01 4.26 -3.639743560e-01 -3.639743560e-01 4.28 -3.474245299e-01 -3.474245299e-01 4.30 -3.312208586e-01 -3.312208586e-01 4.32 -3.153547750e-01 -3.153547750e-01 4.34 -2.998241545e-01 -2.998241545e-01 4.36 -2.846341866e-01 -2.846341866e-01 4.38 -2.697976830e-01 -2.697976830e-01 4.40 -2.553346787e-01 -2.553346787e-01 4.42 -2.412712714e-01 -2.412712714e-01 4.44 -2.276377594e-01 -2.276377594e-01 4.46 -2.144662467e-01 -2.144662467e-01 4.48 -2.017879771e-01 -2.017879771e-01 4.50 -1.896307113e-01 -1.896307113e-01 4.52 -1.780164624e-01 -1.780164624e-01 4.54 -1.669598481e-01 -1.669598481e-01 4.56 -1.564672209e-01 -1.564672209e-01 4.58 -1.465366187e-01 -1.465366187e-01 4.60 -1.371584622e-01 -1.371584622e-01 4.62 -1.283168367e-01 -1.283168367e-01 4.64 -1.199911390e-01 -1.199911390e-01 4.66 -1.121578336e-01 -1.121578336e-01 4.68 -1.047921732e-01 -1.047921732e-01 4.70 -9.786965493e-02 -9.786965493e-02 4.72 -9.136653066e-02 -9.136653066e-02 4.74 -8.526126193e-02 -8.526126193e-02 4.76 -7.953590630e-02 -7.953590630e-02 4.78 -7.417430020e-02 -7.417430020e-02 4.80 -6.916167099e-02 -6.916167099e-02 4.82 -6.448510186e-02 -6.448510186e-02 4.84 -6.013165345e-02 -6.013165345e-02 4.86 -5.608877544e-02 -5.608877544e-02 4.88 -5.234359414e-02 -5.234359414e-02 4.90 -4.888258417e-02 -4.888258417e-02 4.92 -4.569139852e-02 -4.569139852e-02 4.94 -4.275483606e-02 -4.275483606e-02 4.96 -4.005698712e-02 -4.005698712e-02 4.98 -3.758145631e-02 -3.758145631e-02 5.00 -3.531160971e-02 -3.531160971e-02 5.02 -3.323086441e-02 -3.323086441e-02 5.04 -3.132296588e-02 -3.132296588e-02 5.06 -2.957223143e-02 -2.957223143e-02 5.08 -2.796374727e-02 -2.796374727e-02 5.10 -2.648351356e-02 -2.648351356e-02 5.12 -2.511853946e-02 -2.511853946e-02 5.14 -2.385689273e-02 -2.385689273e-02 5.16 -2.268771132e-02 -2.268771132e-02 5.18 -2.160118499e-02 -2.160118499e-02 5.20 -2.058851513e-02 -2.058851513e-02 5.22 -1.964185994e-02 -1.964185994e-02 5.24 -1.875427091e-02 -1.875427091e-02 5.26 -1.791962538e-02 -1.791962538e-02 5.28 -1.713255865e-02 -1.713255865e-02 5.30 -1.638839770e-02 -1.638839770e-02 5.32 -1.568309793e-02 -1.568309793e-02 5.34 -1.501318307e-02 -1.501318307e-02 5.36 -1.437568816e-02 -1.437568816e-02 5.38 -1.376808174e-02 -1.376808174e-02 5.40 -1.318824127e-02 -1.318824127e-02 5.42 -1.263442139e-02 -1.263442139e-02 5.44 -1.210517191e-02 -1.210517191e-02 5.46 -1.159928554e-02 -1.159928554e-02 5.48 -1.111574628e-02 -1.111574628e-02 5.50 -1.065367973e-02 -1.065367973e-02 5.52 -1.021230678e-02 -1.021230678e-02 5.54 -9.790902682e-03 -9.790902682e-03 5.56 -9.388762854e-03 -9.388762854e-03 5.58 -9.005176769e-03 -9.005176769e-03 5.60 -8.639410288e-03 -8.639410288e-03 5.62 -8.290696225e-03 -8.290696225e-03 5.64 -7.958232208e-03 -7.958232208e-03 5.66 -7.641184384e-03 -7.641184384e-03 5.68 -7.338695289e-03 -7.338695289e-03 5.70 -7.049894136e-03 -7.049894136e-03 5.72 -6.773908001e-03 -6.773908001e-03 5.74 -6.509872654e-03 -6.509872654e-03 5.76 -6.256942182e-03 -6.256942182e-03 5.78 -6.014296903e-03 -6.014296903e-03 5.80 -5.781149373e-03 -5.781149373e-03 5.82 -5.556748556e-03 -5.556748556e-03 5.84 -5.340382376e-03 -5.340382376e-03 5.86 -5.131378959e-03 -5.131378959e-03 5.88 -4.929106942e-03 -4.929106942e-03 5.90 -4.732975198e-03 -4.732975198e-03 5.92 -4.542432322e-03 -4.542432322e-03 5.94 -4.356966165e-03 -4.356966165e-03 5.96 -4.176103665e-03 -4.176103665e-03 5.98 -3.999411164e-03 -3.999411164e-03 6.00 -3.826495347e-03 -3.826495347e-03