# 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 = AuMoTa2 # 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 3.938093842e+02 3.938093842e+02 1.30 3.656311706e+02 3.656311706e+02 1.32 3.395252415e+02 3.395252415e+02 1.34 3.153349212e+02 3.153349212e+02 1.36 2.929124880e+02 2.929124880e+02 1.38 2.721177508e+02 2.721177508e+02 1.40 2.528182417e+02 2.528182417e+02 1.42 2.348903304e+02 2.348903304e+02 1.44 2.182204211e+02 2.182204211e+02 1.46 2.027056416e+02 2.027056416e+02 1.48 1.882539061e+02 1.882539061e+02 1.50 1.747834653e+02 1.747834653e+02 1.52 1.622219846e+02 1.622219846e+02 1.54 1.505051606e+02 1.505051606e+02 1.56 1.395750644e+02 1.395750644e+02 1.58 1.293785990e+02 1.293785990e+02 1.60 1.198663980e+02 1.198663980e+02 1.62 1.109922280e+02 1.109922280e+02 1.64 1.027127418e+02 1.027127418e+02 1.66 9.498741004e+01 9.498741004e+01 1.68 8.777851095e+01 8.777851095e+01 1.70 8.105108032e+01 8.105108032e+01 1.72 7.477273708e+01 7.477273708e+01 1.74 6.891335504e+01 6.891335504e+01 1.76 6.344464168e+01 6.344464168e+01 1.78 5.833975055e+01 5.833975055e+01 1.80 5.357305395e+01 5.357305395e+01 1.82 4.912013708e+01 4.912013708e+01 1.84 4.495797315e+01 4.495797315e+01 1.86 4.106516085e+01 4.106516085e+01 1.88 3.742210165e+01 3.742210165e+01 1.90 3.401185184e+01 3.401185184e+01 1.92 3.082606010e+01 3.082606010e+01 1.94 2.785177088e+01 2.785177088e+01 1.96 2.508469130e+01 2.508469130e+01 1.98 2.251877995e+01 2.251877995e+01 2.00 2.014173754e+01 2.014173754e+01 2.02 1.794189268e+01 1.794189268e+01 2.04 1.590793050e+01 1.590793050e+01 2.06 1.402874614e+01 1.402874614e+01 2.08 1.229343874e+01 1.229343874e+01 2.10 1.069141680e+01 1.069141680e+01 2.12 9.212558622e+00 9.212558622e+00 2.14 7.847370987e+00 7.847370987e+00 2.16 6.587104129e+00 6.587104129e+00 2.18 5.423802884e+00 5.423802884e+00 2.20 4.350292767e+00 4.350292767e+00 2.22 3.360113308e+00 3.360113308e+00 2.24 2.447417316e+00 2.447417316e+00 2.26 1.606855413e+00 1.606855413e+00 2.28 8.334629674e-01 8.334629674e-01 2.30 1.225636791e-01 1.225636791e-01 2.32 -5.302991956e-01 -5.302991956e-01 2.34 -1.129397424e+00 -1.129397424e+00 2.36 -1.678818078e+00 -1.678818078e+00 2.38 -2.182436829e+00 -2.182436829e+00 2.40 -2.643877758e+00 -2.643877758e+00 2.42 -3.066475375e+00 -3.066475375e+00 2.44 -3.453251721e+00 -3.453251721e+00 2.46 -3.806914857e+00 -3.806914857e+00 2.48 -4.129877766e+00 -4.129877766e+00 2.50 -4.424291641e+00 -4.424291641e+00 2.52 -4.692085893e+00 -4.692085893e+00 2.54 -4.935008309e+00 -4.935008309e+00 2.56 -5.154660899e+00 -5.154660899e+00 2.58 -5.352528788e+00 -5.352528788e+00 2.60 -5.530000679e+00 -5.530000679e+00 2.62 -5.688248013e+00 -5.688248013e+00 2.64 -5.828471090e+00 -5.828471090e+00 2.66 -5.951997726e+00 -5.951997726e+00 2.68 -6.060039018e+00 -6.060039018e+00 2.70 -6.153694295e+00 -6.153694295e+00 2.72 -6.233958095e+00 -6.233958095e+00 2.74 -6.301728466e+00 -6.301728466e+00 2.76 -6.357815597e+00 -6.357815597e+00 2.78 -6.402898360e+00 -6.402898360e+00 2.80 -6.437234025e+00 -6.437234025e+00 2.82 -6.461088764e+00 -6.461088764e+00 2.84 -6.474763639e+00 -6.474763639e+00 2.86 -6.478562758e+00 -6.478562758e+00 2.88 -6.472790793e+00 -6.472790793e+00 2.90 -6.457752791e+00 -6.457752791e+00 2.92 -6.433755216e+00 -6.433755216e+00 2.94 -6.401107150e+00 -6.401107150e+00 2.96 -6.360119497e+00 -6.360119497e+00 2.98 -6.311035385e+00 -6.311035385e+00 3.00 -6.254019375e+00 -6.254019375e+00 3.02 -6.189338651e+00 -6.189338651e+00 3.04 -6.117123423e+00 -6.117123423e+00 3.06 -6.037482996e+00 -6.037482996e+00 3.08 -5.950562282e+00 -5.950562282e+00 3.10 -5.856532723e+00 -5.856532723e+00 3.12 -5.755586273e+00 -5.755586273e+00 3.14 -5.647933599e+00 -5.647933599e+00 3.16 -5.533804072e+00 -5.533804072e+00 3.18 -5.413449860e+00 -5.413449860e+00 3.20 -5.287165876e+00 -5.287165876e+00 3.22 -5.155304129e+00 -5.155304129e+00 3.24 -5.018286341e+00 -5.018286341e+00 3.26 -4.876614204e+00 -4.876614204e+00 3.28 -4.730874976e+00 -4.730874976e+00 3.30 -4.581740593e+00 -4.581740593e+00 3.32 -4.429959223e+00 -4.429959223e+00 3.34 -4.276339184e+00 -4.276339184e+00 3.36 -4.121726203e+00 -4.121726203e+00 3.38 -3.966975849e+00 -3.966975849e+00 3.40 -3.812923597e+00 -3.812923597e+00 3.42 -3.660355150e+00 -3.660355150e+00 3.44 -3.509979432e+00 -3.509979432e+00 3.46 -3.362406272e+00 -3.362406272e+00 3.48 -3.218130151e+00 -3.218130151e+00 3.50 -3.077520835e+00 -3.077520835e+00 3.52 -2.940821132e+00 -2.940821132e+00 3.54 -2.808151532e+00 -2.808151532e+00 3.56 -2.679521110e+00 -2.679521110e+00 3.58 -2.554843684e+00 -2.554843684e+00 3.60 -2.433958045e+00 -2.433958045e+00 3.62 -2.316650858e+00 -2.316650858e+00 3.64 -2.202680833e+00 -2.202680833e+00 3.66 -2.091802732e+00 -2.091802732e+00 3.68 -1.983789899e+00 -1.983789899e+00 3.70 -1.878454073e+00 -1.878454073e+00 3.72 -1.775661409e+00 -1.775661409e+00 3.74 -1.675343768e+00 -1.675343768e+00 3.76 -1.577504590e+00 -1.577504590e+00 3.78 -1.482218924e+00 -1.482218924e+00 3.80 -1.389627599e+00 -1.389627599e+00 3.82 -1.299925975e+00 -1.299925975e+00 3.84 -1.213348212e+00 -1.213348212e+00 3.86 -1.130148459e+00 -1.130148459e+00 3.88 -1.050580702e+00 -1.050580702e+00 3.90 -9.748791290e-01 -9.748791290e-01 3.92 -9.032407927e-01 -9.032407927e-01 3.94 -8.358119787e-01 -8.358119787e-01 3.96 -7.726791902e-01 -7.726791902e-01 3.98 -7.138650730e-01 -7.138650730e-01 4.00 -6.593290286e-01 -6.593290286e-01 4.02 -6.089718207e-01 -6.089718207e-01 4.04 -5.626431927e-01 -5.626431927e-01 4.06 -5.201514032e-01 -5.201514032e-01 4.08 -4.812736322e-01 -4.812736322e-01 4.10 -4.457663632e-01 -4.457663632e-01 4.12 -4.133750654e-01 -4.133750654e-01 4.14 -3.838427000e-01 -3.838427000e-01 4.16 -3.569168263e-01 -3.569168263e-01 4.18 -3.323551967e-01 -3.323551967e-01 4.20 -3.099298823e-01 -3.099298823e-01 4.22 -2.894300328e-01 -2.894300328e-01 4.24 -2.706634191e-01 -2.706634191e-01 4.26 -2.534569273e-01 -2.534569273e-01 4.28 -2.376561799e-01 -2.376561799e-01 4.30 -2.231244655e-01 -2.231244655e-01 4.32 -2.097411600e-01 -2.097411600e-01 4.34 -1.973998262e-01 -1.973998262e-01 4.36 -1.860061737e-01 -1.860061737e-01 4.38 -1.754760439e-01 -1.754760439e-01 4.40 -1.657335648e-01 -1.657335648e-01 4.42 -1.567095754e-01 -1.567095754e-01 4.44 -1.483403334e-01 -1.483403334e-01 4.46 -1.405664659e-01 -1.405664659e-01 4.48 -1.333328552e-01 -1.333328552e-01 4.50 -1.265878668e-01 -1.265878668e-01 4.52 -1.202831223e-01 -1.202831223e-01 4.54 -1.143734317e-01 -1.143734317e-01 4.56 -1.088165473e-01 -1.088165473e-01 4.58 -1.035736004e-01 -1.035736004e-01 4.60 -9.860900956e-02 -9.860900956e-02 4.62 -9.389013271e-02 -9.389013271e-02 4.64 -8.938723943e-02 -8.938723943e-02 4.66 -8.507345140e-02 -8.507345140e-02 4.68 -8.092466824e-02 -8.092466824e-02 4.70 -7.691949460e-02 -7.691949460e-02 4.72 -7.303918090e-02 -7.303918090e-02 4.74 -6.926758556e-02 -6.926758556e-02 4.76 -6.559116170e-02 -6.559116170e-02 4.78 -6.199896610e-02 -6.199896610e-02 4.80 -5.848268193e-02 -5.848268193e-02 4.82 -5.503664600e-02 -5.503664600e-02 4.84 -5.165785432e-02 -5.165785432e-02 4.86 -4.834593480e-02 -4.834593480e-02 4.88 -4.510305729e-02 -4.510305729e-02 4.90 -4.193376753e-02 -4.193376753e-02 4.92 -3.884472321e-02 -3.884472321e-02 4.94 -3.584432647e-02 -3.584432647e-02 4.96 -3.294225587e-02 -3.294225587e-02 4.98 -3.014892111e-02 -3.014892111e-02 5.00 -2.747485599e-02 -2.747485599e-02 5.02 -2.493009856e-02 -2.493009856e-02 5.04 -2.252360537e-02 -2.252360537e-02 5.06 -2.026274228e-02 -2.026274228e-02 5.08 -1.815288992e-02 -1.815288992e-02 5.10 -1.619697762e-02 -1.619697762e-02 5.12 -1.439569941e-02 -1.439569941e-02 5.14 -1.274775160e-02 -1.274775160e-02 5.16 -1.124963296e-02 -1.124963296e-02 5.18 -9.895925609e-03 -9.895925609e-03 5.20 -8.679641184e-03 -8.679641184e-03 5.22 -7.592596655e-03 -7.592596655e-03 5.24 -6.625789476e-03 -6.625789476e-03 5.26 -5.769748088e-03 -5.769748088e-03 5.28 -5.014841236e-03 -5.014841236e-03 5.30 -4.351536721e-03 -4.351536721e-03 5.32 -3.770606326e-03 -3.770606326e-03 5.34 -3.263278412e-03 -3.263278412e-03 5.36 -2.821342844e-03 -2.821342844e-03 5.38 -2.437214805e-03 -2.437214805e-03 5.40 -2.103964788e-03 -2.103964788e-03 5.42 -1.815322031e-03 -1.815322031e-03 5.44 -1.565658079e-03 -1.565658079e-03 5.46 -1.349956313e-03 -1.349956313e-03 5.48 -1.163772283e-03 -1.163772283e-03 5.50 -1.003188746e-03 -1.003188746e-03 5.52 -8.647683811e-04 -8.647683811e-04 5.54 -7.455063878e-04 -7.455063878e-04 5.56 -6.427845302e-04 -6.427845302e-04 5.58 -5.543276569e-04 -5.543276569e-04 5.60 -4.781633288e-04 -4.781633288e-04 5.62 -4.125848796e-04 -4.125848796e-04 5.64 -3.561180129e-04 -3.561180129e-04 5.66 -3.074908842e-04 -3.074908842e-04 5.68 -2.656075140e-04 -2.656075140e-04 5.70 -2.295243131e-04 -2.295243131e-04 5.72 -1.984294671e-04 -1.984294671e-04 5.74 -1.716249136e-04 -1.716249136e-04 5.76 -1.485106434e-04 -1.485106434e-04 5.78 -1.285710705e-04 -1.285710705e-04 5.80 -1.113632282e-04 -1.113632282e-04 5.82 -9.650656848e-05 -9.650656848e-05 5.84 -8.367416406e-05 -8.367416406e-05 5.86 -7.258513013e-05 -7.258513013e-05 5.88 -6.299810549e-05 -6.299810549e-05 5.90 -5.470565006e-05 -5.470565006e-05 5.92 -4.752943391e-05 -4.752943391e-05 5.94 -4.131610827e-05 -4.131610827e-05 5.96 -3.593376358e-05 -3.593376358e-05 5.98 -3.126889215e-05 -3.126889215e-05 6.00 -2.722378397e-05 -2.722378397e-05