# 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 = Au2FePd # 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 3.206603737e+02 3.206603737e+02 1.30 2.963975775e+02 2.963975775e+02 1.32 2.739727032e+02 2.739727032e+02 1.34 2.532401593e+02 2.532401593e+02 1.36 2.340639928e+02 2.340639928e+02 1.38 2.163175301e+02 2.163175301e+02 1.40 1.998842083e+02 1.998842083e+02 1.42 1.846580826e+02 1.846580826e+02 1.44 1.705434062e+02 1.705434062e+02 1.46 1.574534834e+02 1.574534834e+02 1.48 1.453092454e+02 1.453092454e+02 1.50 1.340379720e+02 1.340379720e+02 1.52 1.235724261e+02 1.235724261e+02 1.54 1.138503833e+02 1.138503833e+02 1.56 1.048143750e+02 1.048143750e+02 1.58 9.641153157e+01 9.641153157e+01 1.60 8.859346379e+01 8.859346379e+01 1.62 8.131608419e+01 8.131608419e+01 1.64 7.453933444e+01 7.453933444e+01 1.66 6.822690071e+01 6.822690071e+01 1.68 6.234595467e+01 6.234595467e+01 1.70 5.686703065e+01 5.686703065e+01 1.72 5.178298029e+01 5.178298029e+01 1.74 4.709165009e+01 4.709165009e+01 1.76 4.277154097e+01 4.277154097e+01 1.78 3.879472887e+01 3.879472887e+01 1.80 3.513473571e+01 3.513473571e+01 1.82 3.176651571e+01 3.176651571e+01 1.84 2.866659676e+01 2.866659676e+01 1.86 2.581329715e+01 2.581329715e+01 1.88 2.318689527e+01 2.318689527e+01 1.90 2.076964475e+01 2.076964475e+01 1.92 1.854559403e+01 1.854559403e+01 1.94 1.650025795e+01 1.650025795e+01 1.96 1.462025533e+01 1.462025533e+01 1.98 1.289303125e+01 1.289303125e+01 2.00 1.130672597e+01 1.130672597e+01 2.02 9.850176243e+00 9.850176243e+00 2.04 8.512983763e+00 8.512983763e+00 2.06 7.285580030e+00 7.285580030e+00 2.08 6.159245370e+00 6.159245370e+00 2.10 5.126075479e+00 5.126075479e+00 2.12 4.178910991e+00 4.178910991e+00 2.14 3.311250492e+00 3.311250492e+00 2.16 2.517162861e+00 2.517162861e+00 2.18 1.791208717e+00 1.791208717e+00 2.20 1.128376234e+00 1.128376234e+00 2.22 5.240329169e-01 5.240329169e-01 2.24 -2.610870227e-02 -2.610870227e-02 2.26 -5.260161309e-01 -5.260161309e-01 2.28 -9.793580276e-01 -9.793580276e-01 2.30 -1.389525181e+00 -1.389525181e+00 2.32 -1.759652883e+00 -1.759652883e+00 2.34 -2.092644131e+00 -2.092644131e+00 2.36 -2.391191972e+00 -2.391191972e+00 2.38 -2.657799211e+00 -2.657799211e+00 2.40 -2.894794953e+00 -2.894794953e+00 2.42 -3.104349304e+00 -3.104349304e+00 2.44 -3.288488839e+00 -3.288488839e+00 2.46 -3.449114931e+00 -3.449114931e+00 2.48 -3.588024529e+00 -3.588024529e+00 2.50 -3.706930159e+00 -3.706930159e+00 2.52 -3.807474857e+00 -3.807474857e+00 2.54 -3.891239189e+00 -3.891239189e+00 2.56 -3.959740198e+00 -3.959740198e+00 2.58 -4.014423871e+00 -4.014423871e+00 2.60 -4.056652883e+00 -4.056652883e+00 2.62 -4.087740363e+00 -4.087740363e+00 2.64 -4.109163997e+00 -4.109163997e+00 2.66 -4.122026268e+00 -4.122026268e+00 2.68 -4.126809717e+00 -4.126809717e+00 2.70 -4.123953102e+00 -4.123953102e+00 2.72 -4.113858212e+00 -4.113858212e+00 2.74 -4.096891909e+00 -4.096891909e+00 2.76 -4.073403570e+00 -4.073403570e+00 2.78 -4.043744742e+00 -4.043744742e+00 2.80 -4.008319719e+00 -4.008319719e+00 2.82 -3.967552404e+00 -3.967552404e+00 2.84 -3.921873202e+00 -3.921873202e+00 2.86 -3.871712669e+00 -3.871712669e+00 2.88 -3.817426506e+00 -3.817426506e+00 2.90 -3.759354816e+00 -3.759354816e+00 2.92 -3.697864641e+00 -3.697864641e+00 2.94 -3.633337454e+00 -3.633337454e+00 2.96 -3.566156575e+00 -3.566156575e+00 2.98 -3.496696571e+00 -3.496696571e+00 3.00 -3.425315808e+00 -3.425315808e+00 3.02 -3.352352353e+00 -3.352352353e+00 3.04 -3.278122411e+00 -3.278122411e+00 3.06 -3.202919842e+00 -3.202919842e+00 3.08 -3.127015575e+00 -3.127015575e+00 3.10 -3.050656636e+00 -3.050656636e+00 3.12 -2.974065397e+00 -2.974065397e+00 3.14 -2.897440147e+00 -2.897440147e+00 3.16 -2.820957745e+00 -2.820957745e+00 3.18 -2.744778385e+00 -2.744778385e+00 3.20 -2.669051628e+00 -2.669051628e+00 3.22 -2.593922400e+00 -2.593922400e+00 3.24 -2.519535637e+00 -2.519535637e+00 3.26 -2.446038641e+00 -2.446038641e+00 3.28 -2.373580781e+00 -2.373580781e+00 3.30 -2.302310749e+00 -2.302310749e+00 3.32 -2.232372034e+00 -2.232372034e+00 3.34 -2.163897515e+00 -2.163897515e+00 3.36 -2.097004160e+00 -2.097004160e+00 3.38 -2.031788642e+00 -2.031788642e+00 3.40 -1.968324458e+00 -1.968324458e+00 3.42 -1.906660788e+00 -1.906660788e+00 3.44 -1.846823036e+00 -1.846823036e+00 3.46 -1.788814768e+00 -1.788814768e+00 3.48 -1.732620620e+00 -1.732620620e+00 3.50 -1.678209712e+00 -1.678209712e+00 3.52 -1.625539174e+00 -1.625539174e+00 3.54 -1.574557458e+00 -1.574557458e+00 3.56 -1.525207232e+00 -1.525207232e+00 3.58 -1.477427762e+00 -1.477427762e+00 3.60 -1.431156743e+00 -1.431156743e+00 3.62 -1.386331651e+00 -1.386331651e+00 3.64 -1.342890650e+00 -1.342890650e+00 3.66 -1.300773186e+00 -1.300773186e+00 3.68 -1.259920318e+00 -1.259920318e+00 3.70 -1.220274904e+00 -1.220274904e+00 3.72 -1.181781686e+00 -1.181781686e+00 3.74 -1.144387335e+00 -1.144387335e+00 3.76 -1.108040497e+00 -1.108040497e+00 3.78 -1.072691839e+00 -1.072691839e+00 3.80 -1.038294131e+00 -1.038294131e+00 3.82 -1.004802326e+00 -1.004802326e+00 3.84 -9.721736627e-01 -9.721736627e-01 3.86 -9.403677712e-01 -9.403677712e-01 3.88 -9.093467770e-01 -9.093467770e-01 3.90 -8.790754207e-01 -8.790754207e-01 3.92 -8.495211941e-01 -8.495211941e-01 3.94 -8.206545152e-01 -8.206545152e-01 3.96 -7.924489385e-01 -7.924489385e-01 3.98 -7.648814183e-01 -7.648814183e-01 4.00 -7.379325992e-01 -7.379325992e-01 4.02 -7.115871057e-01 -7.115871057e-01 4.04 -6.858337800e-01 -6.858337800e-01 4.06 -6.606658046e-01 -6.606658046e-01 4.08 -6.360806485e-01 -6.360806485e-01 4.10 -6.120797837e-01 -6.120797837e-01 4.12 -5.886681698e-01 -5.886681698e-01 4.14 -5.658534978e-01 -5.658534978e-01 4.16 -5.436453027e-01 -5.436453027e-01 4.18 -5.220540087e-01 -5.220540087e-01 4.20 -5.010900218e-01 -5.010900218e-01 4.22 -4.807629480e-01 -4.807629480e-01 4.24 -4.610809746e-01 -4.610809746e-01 4.26 -4.420504003e-01 -4.420504003e-01 4.28 -4.236752600e-01 -4.236752600e-01 4.30 -4.059569740e-01 -4.059569740e-01 4.32 -3.888939660e-01 -3.888939660e-01 4.34 -3.724812333e-01 -3.724812333e-01 4.36 -3.567098965e-01 -3.567098965e-01 4.38 -3.415668000e-01 -3.415668000e-01 4.40 -3.270342506e-01 -3.270342506e-01 4.42 -3.130899723e-01 -3.130899723e-01 4.44 -2.997073307e-01 -2.997073307e-01 4.46 -2.868558333e-01 -2.868558333e-01 4.48 -2.745018758e-01 -2.745018758e-01 4.50 -2.626096711e-01 -2.626096711e-01 4.52 -2.511422863e-01 -2.511422863e-01 4.54 -2.400627103e-01 -2.400627103e-01 4.56 -2.293348882e-01 -2.293348882e-01 4.58 -2.189246720e-01 -2.189246720e-01 4.60 -2.088006554e-01 -2.088006554e-01 4.62 -1.989348717e-01 -1.989348717e-01 4.64 -1.893033405e-01 -1.893033405e-01 4.66 -1.798864561e-01 -1.798864561e-01 4.68 -1.706692082e-01 -1.706692082e-01 4.70 -1.616412331e-01 -1.616412331e-01 4.72 -1.527966938e-01 -1.527966938e-01 4.74 -1.441340018e-01 -1.441340018e-01 4.76 -1.356553996e-01 -1.356553996e-01 4.78 -1.273664392e-01 -1.273664392e-01 4.80 -1.192753982e-01 -1.192753982e-01 4.82 -1.113926895e-01 -1.113926895e-01 4.84 -1.037302883e-01 -1.037302883e-01 4.86 -9.630123291e-02 -9.630123291e-02 4.88 -8.911919368e-02 -8.911919368e-02 4.90 -8.219810702e-02 -8.219810702e-02 4.92 -7.555184738e-02 -7.555184738e-02 4.94 -6.919366843e-02 -6.919366843e-02 4.96 -6.313617790e-02 -6.313617790e-02 4.98 -5.739124817e-02 -5.739124817e-02 5.00 -5.196903938e-02 -5.196903938e-02 5.02 -4.687754746e-02 -4.687754746e-02 5.04 -4.212215885e-02 -4.212215885e-02 5.06 -3.770526119e-02 -3.770526119e-02 5.08 -3.362596445e-02 -3.362596445e-02 5.10 -2.987996631e-02 -2.987996631e-02 5.12 -2.645959022e-02 -2.645959022e-02 5.14 -2.335398736e-02 -2.335398736e-02 5.16 -2.054949103e-02 -2.054949103e-02 5.18 -1.803009004e-02 -1.803009004e-02 5.20 -1.577794217e-02 -1.577794217e-02 5.22 -1.377359291e-02 -1.377359291e-02 5.24 -1.199752057e-02 -1.199752057e-02 5.26 -1.043013036e-02 -1.043013036e-02 5.28 -9.051998442e-03 -9.051998442e-03 5.30 -7.844279938e-03 -7.844279938e-03 5.32 -6.789019406e-03 -6.789019406e-03 5.34 -5.869369741e-03 -5.869369741e-03 5.36 -5.069730104e-03 -5.069730104e-03 5.38 -4.375815802e-03 -4.375815802e-03 5.40 -3.774673662e-03 -3.774673662e-03 5.42 -3.254655835e-03 -3.254655835e-03 5.44 -2.805363605e-03 -2.805363605e-03 5.46 -2.417571029e-03 -2.417571029e-03 5.48 -2.083136436e-03 -2.083136436e-03 5.50 -1.794908048e-03 -1.794908048e-03 5.52 -1.546628429e-03 -1.546628429e-03 5.54 -1.332841152e-03 -1.332841152e-03 5.56 -1.148801982e-03 -1.148801982e-03 5.58 -9.903960225e-04 -9.903960225e-04 5.60 -8.540616123e-04 -8.540616123e-04 5.62 -7.367213046e-04 -7.367213046e-04 5.64 -6.357198810e-04 -6.357198810e-04 5.66 -5.487691534e-04 -5.487691534e-04 5.68 -4.738991414e-04 -4.738991414e-04 5.70 -4.094151350e-04 -4.094151350e-04 5.72 -3.538601120e-04 -3.538601120e-04 5.74 -3.059819732e-04 -3.059819732e-04 5.76 -2.647050710e-04 -2.647050710e-04 5.78 -2.291055394e-04 -2.291055394e-04 5.80 -1.983899658e-04 -1.983899658e-04 5.82 -1.718769886e-04 -1.718769886e-04 5.84 -1.489814434e-04 -1.489814434e-04 5.86 -1.292007244e-04 -1.292007244e-04 5.88 -1.121030611e-04 -1.121030611e-04 5.90 -9.731745340e-05 -9.731745340e-05 5.92 -8.452503342e-05 -8.452503342e-05 5.94 -7.345165687e-05 -7.345165687e-05 5.96 -6.386155121e-05 -6.386155121e-05 5.98 -5.555187111e-05 -5.555187111e-05 6.00 -4.834803230e-05 -4.834803230e-05