# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Starikov-S-Grigorev-P-Lee-S-H-et-al--W-Mo-Nb-Zr-Ti-Ta # implementation = 2026--Starikov-S--W-Mo-Nb-Zr-Ti-Ta--LAMMPS--ipr1 # composition = TaTi2Zr # 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 2025-12-17 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 3.629720698e+02 3.629720698e+02 1.08 3.258427238e+02 3.258427238e+02 1.10 2.918361193e+02 2.918361193e+02 1.12 2.608249247e+02 2.608249247e+02 1.14 2.330086720e+02 2.330086720e+02 1.16 2.083737641e+02 2.083737641e+02 1.18 1.864486753e+02 1.864486753e+02 1.20 1.678388166e+02 1.678388166e+02 1.22 1.520782042e+02 1.520782042e+02 1.24 1.383319195e+02 1.383319195e+02 1.26 1.266777972e+02 1.266777972e+02 1.28 1.174437768e+02 1.174437768e+02 1.30 1.095667959e+02 1.095667959e+02 1.32 1.019896882e+02 1.019896882e+02 1.34 9.487431947e+01 9.487431947e+01 1.36 8.836187025e+01 8.836187025e+01 1.38 8.233581691e+01 8.233581691e+01 1.40 7.659335858e+01 7.659335858e+01 1.42 7.096226211e+01 7.096226211e+01 1.44 6.555518663e+01 6.555518663e+01 1.46 6.052035782e+01 6.052035782e+01 1.48 5.582913210e+01 5.582913210e+01 1.50 5.144204058e+01 5.144204058e+01 1.52 4.749761654e+01 4.749761654e+01 1.54 4.399049405e+01 4.399049405e+01 1.56 4.075167308e+01 4.075167308e+01 1.58 3.768981494e+01 3.768981494e+01 1.60 3.484874446e+01 3.484874446e+01 1.62 3.223388182e+01 3.223388182e+01 1.64 2.981486371e+01 2.981486371e+01 1.66 2.757409982e+01 2.757409982e+01 1.68 2.545343556e+01 2.545343556e+01 1.70 2.339179428e+01 2.339179428e+01 1.72 2.137452719e+01 2.137452719e+01 1.74 1.948169923e+01 1.948169923e+01 1.76 1.783704631e+01 1.783704631e+01 1.78 1.638495343e+01 1.638495343e+01 1.80 1.500787229e+01 1.500787229e+01 1.82 1.370609373e+01 1.370609373e+01 1.84 1.250561395e+01 1.250561395e+01 1.86 1.141638642e+01 1.141638642e+01 1.88 1.042623711e+01 1.042623711e+01 1.90 9.510253425e+00 9.510253425e+00 1.92 8.640662595e+00 8.640662595e+00 1.94 7.818245770e+00 7.818245770e+00 1.96 7.076046083e+00 7.076046083e+00 1.98 6.467116690e+00 6.467116690e+00 2.00 5.994615847e+00 5.994615847e+00 2.02 5.593411997e+00 5.593411997e+00 2.04 5.195447673e+00 5.195447673e+00 2.06 4.742774709e+00 4.742774709e+00 2.08 4.238681007e+00 4.238681007e+00 2.10 3.742720412e+00 3.742720412e+00 2.12 3.255457859e+00 3.255457859e+00 2.14 2.796334562e+00 2.796334562e+00 2.16 2.315397796e+00 2.315397796e+00 2.18 1.843634623e+00 1.843634623e+00 2.20 1.360877670e+00 1.360877670e+00 2.22 6.555081401e-01 6.555081401e-01 2.24 -2.770259235e-02 -2.770259235e-02 2.26 -6.413333508e-01 -6.413333508e-01 2.28 -1.110068979e+00 -1.110068979e+00 2.30 -1.514374094e+00 -1.514374094e+00 2.32 -1.873813267e+00 -1.873813267e+00 2.34 -2.188392928e+00 -2.188392928e+00 2.36 -2.454914304e+00 -2.454914304e+00 2.38 -2.683204953e+00 -2.683204953e+00 2.40 -2.914935913e+00 -2.914935913e+00 2.42 -3.178212889e+00 -3.178212889e+00 2.44 -3.455649467e+00 -3.455649467e+00 2.46 -3.739297936e+00 -3.739297936e+00 2.48 -3.985706313e+00 -3.985706313e+00 2.50 -4.207062140e+00 -4.207062140e+00 2.52 -4.405317715e+00 -4.405317715e+00 2.54 -4.582891222e+00 -4.582891222e+00 2.56 -4.742399014e+00 -4.742399014e+00 2.58 -4.887295972e+00 -4.887295972e+00 2.60 -5.021840645e+00 -5.021840645e+00 2.62 -5.150426340e+00 -5.150426340e+00 2.64 -5.274625869e+00 -5.274625869e+00 2.66 -5.393942996e+00 -5.393942996e+00 2.68 -5.510911417e+00 -5.510911417e+00 2.70 -5.621943175e+00 -5.621943175e+00 2.72 -5.713653651e+00 -5.713653651e+00 2.74 -5.784243292e+00 -5.784243292e+00 2.76 -5.836642188e+00 -5.836642188e+00 2.78 -5.874734940e+00 -5.874734940e+00 2.80 -5.900572136e+00 -5.900572136e+00 2.82 -5.918678660e+00 -5.918678660e+00 2.84 -5.937282526e+00 -5.937282526e+00 2.86 -5.949967592e+00 -5.949967592e+00 2.88 -5.951958474e+00 -5.951958474e+00 2.90 -5.948557892e+00 -5.948557892e+00 2.92 -5.941541781e+00 -5.941541781e+00 2.94 -5.930560360e+00 -5.930560360e+00 2.96 -5.913782186e+00 -5.913782186e+00 2.98 -5.889058335e+00 -5.889058335e+00 3.00 -5.857340701e+00 -5.857340701e+00 3.02 -5.826264418e+00 -5.826264418e+00 3.04 -5.797460131e+00 -5.797460131e+00 3.06 -5.762765828e+00 -5.762765828e+00 3.08 -5.725080680e+00 -5.725080680e+00 3.10 -5.684242973e+00 -5.684242973e+00 3.12 -5.628451910e+00 -5.628451910e+00 3.14 -5.558597606e+00 -5.558597606e+00 3.16 -5.486857854e+00 -5.486857854e+00 3.18 -5.417003358e+00 -5.417003358e+00 3.20 -5.350545403e+00 -5.350545403e+00 3.22 -5.291946879e+00 -5.291946879e+00 3.24 -5.248695362e+00 -5.248695362e+00 3.26 -5.214118701e+00 -5.214118701e+00 3.28 -5.183226408e+00 -5.183226408e+00 3.30 -5.157039405e+00 -5.157039405e+00 3.32 -5.133046023e+00 -5.133046023e+00 3.34 -5.107094260e+00 -5.107094260e+00 3.36 -5.073881944e+00 -5.073881944e+00 3.38 -5.027826048e+00 -5.027826048e+00 3.40 -4.966875293e+00 -4.966875293e+00 3.42 -4.893420007e+00 -4.893420007e+00 3.44 -4.810915360e+00 -4.810915360e+00 3.46 -4.711737237e+00 -4.711737237e+00 3.48 -4.573322136e+00 -4.573322136e+00 3.50 -4.424008675e+00 -4.424008675e+00 3.52 -4.286219483e+00 -4.286219483e+00 3.54 -4.132311501e+00 -4.132311501e+00 3.56 -3.943629995e+00 -3.943629995e+00 3.58 -3.738659631e+00 -3.738659631e+00 3.60 -3.543146268e+00 -3.543146268e+00 3.62 -3.351658608e+00 -3.351658608e+00 3.64 -3.183041598e+00 -3.183041598e+00 3.66 -3.059645031e+00 -3.059645031e+00 3.68 -2.972230573e+00 -2.972230573e+00 3.70 -2.901462235e+00 -2.901462235e+00 3.72 -2.834881992e+00 -2.834881992e+00 3.74 -2.769447549e+00 -2.769447549e+00 3.76 -2.709222836e+00 -2.709222836e+00 3.78 -2.659620160e+00 -2.659620160e+00 3.80 -2.625872714e+00 -2.625872714e+00 3.82 -2.599393693e+00 -2.599393693e+00 3.84 -2.574494551e+00 -2.574494551e+00 3.86 -2.550093009e+00 -2.550093009e+00 3.88 -2.525023615e+00 -2.525023615e+00 3.90 -2.497797393e+00 -2.497797393e+00 3.92 -2.466876899e+00 -2.466876899e+00 3.94 -2.431192957e+00 -2.431192957e+00 3.96 -2.390755460e+00 -2.390755460e+00 3.98 -2.345744986e+00 -2.345744986e+00 4.00 -2.296779638e+00 -2.296779638e+00 4.02 -2.245114673e+00 -2.245114673e+00 4.04 -2.192050928e+00 -2.192050928e+00 4.06 -2.138842822e+00 -2.138842822e+00 4.08 -2.086789049e+00 -2.086789049e+00 4.10 -2.037069129e+00 -2.037069129e+00 4.12 -1.990522719e+00 -1.990522719e+00 4.14 -1.947577458e+00 -1.947577458e+00 4.16 -1.907895842e+00 -1.907895842e+00 4.18 -1.871185818e+00 -1.871185818e+00 4.20 -1.837360460e+00 -1.837360460e+00 4.22 -1.805877272e+00 -1.805877272e+00 4.24 -1.776283340e+00 -1.776283340e+00 4.26 -1.748493443e+00 -1.748493443e+00 4.28 -1.722288712e+00 -1.722288712e+00 4.30 -1.697317010e+00 -1.697317010e+00 4.32 -1.673127334e+00 -1.673127334e+00 4.34 -1.649305975e+00 -1.649305975e+00 4.36 -1.625882400e+00 -1.625882400e+00 4.38 -1.602823156e+00 -1.602823156e+00 4.40 -1.580089401e+00 -1.580089401e+00 4.42 -1.557700987e+00 -1.557700987e+00 4.44 -1.535724521e+00 -1.535724521e+00 4.46 -1.514081543e+00 -1.514081543e+00 4.48 -1.492366272e+00 -1.492366272e+00 4.50 -1.470338960e+00 -1.470338960e+00 4.52 -1.447768802e+00 -1.447768802e+00 4.54 -1.424412235e+00 -1.424412235e+00 4.56 -1.400016802e+00 -1.400016802e+00 4.58 -1.374429000e+00 -1.374429000e+00 4.60 -1.347701955e+00 -1.347701955e+00 4.62 -1.320070546e+00 -1.320070546e+00 4.64 -1.291907709e+00 -1.291907709e+00 4.66 -1.263606165e+00 -1.263606165e+00 4.68 -1.235567878e+00 -1.235567878e+00 4.70 -1.208168442e+00 -1.208168442e+00 4.72 -1.181689676e+00 -1.181689676e+00 4.74 -1.156327212e+00 -1.156327212e+00 4.76 -1.131854195e+00 -1.131854195e+00 4.78 -1.107903656e+00 -1.107903656e+00 4.80 -1.084095693e+00 -1.084095693e+00 4.82 -1.060034872e+00 -1.060034872e+00 4.84 -1.035377162e+00 -1.035377162e+00 4.86 -1.009775804e+00 -1.009775804e+00 4.88 -9.829670620e-01 -9.829670620e-01 4.90 -9.548580389e-01 -9.548580389e-01 4.92 -9.253909373e-01 -9.253909373e-01 4.94 -8.946581974e-01 -8.946581974e-01 4.96 -8.627654049e-01 -8.627654049e-01 4.98 -8.297867535e-01 -8.297867535e-01 5.00 -7.957840121e-01 -7.957840121e-01 5.02 -7.611448208e-01 -7.611448208e-01 5.04 -7.266032427e-01 -7.266032427e-01 5.06 -6.929340149e-01 -6.929340149e-01 5.08 -6.610070153e-01 -6.610070153e-01 5.10 -6.317788724e-01 -6.317788724e-01 5.12 -6.062924582e-01 -6.062924582e-01 5.14 -5.855461289e-01 -5.855461289e-01 5.16 -5.692930892e-01 -5.692930892e-01 5.18 -5.559488309e-01 -5.559488309e-01 5.20 -5.437136249e-01 -5.437136249e-01 5.22 -5.307343322e-01 -5.307343322e-01 5.24 -5.151124398e-01 -5.151124398e-01 5.26 -4.949406901e-01 -4.949406901e-01 5.28 -4.698674399e-01 -4.698674399e-01 5.30 -4.419661570e-01 -4.419661570e-01 5.32 -4.136223041e-01 -4.136223041e-01 5.34 -3.872982835e-01 -3.872982835e-01 5.36 -3.654897509e-01 -3.654897509e-01 5.38 -3.492596025e-01 -3.492596025e-01 5.40 -3.339391980e-01 -3.339391980e-01 5.42 -3.190422738e-01 -3.190422738e-01 5.44 -3.046999155e-01 -3.046999155e-01 5.46 -2.910406477e-01 -2.910406477e-01 5.48 -2.781914219e-01 -2.781914219e-01 5.50 -2.662774493e-01 -2.662774493e-01 5.52 -2.554224526e-01 -2.554224526e-01 5.54 -2.457255253e-01 -2.457255253e-01 5.56 -2.370195269e-01 -2.370195269e-01 5.58 -2.289676291e-01 -2.289676291e-01 5.60 -2.212269377e-01 -2.212269377e-01 5.62 -2.134575349e-01 -2.134575349e-01 5.64 -2.053243417e-01 -2.053243417e-01 5.66 -1.964625391e-01 -1.964625391e-01 5.68 -1.865805364e-01 -1.865805364e-01 5.70 -1.760130529e-01 -1.760130529e-01 5.72 -1.653603253e-01 -1.653603253e-01 5.74 -1.552148169e-01 -1.552148169e-01 5.76 -1.461150319e-01 -1.461150319e-01 5.78 -1.385172524e-01 -1.385172524e-01 5.80 -1.327881667e-01 -1.327881667e-01 5.82 -1.289626311e-01 -1.289626311e-01 5.84 -1.265489522e-01 -1.265489522e-01 5.86 -1.250468523e-01 -1.250468523e-01 5.88 -1.240399674e-01 -1.240399674e-01 5.90 -1.232113410e-01 -1.232113410e-01 5.92 -1.223330284e-01 -1.223330284e-01 5.94 -1.212212286e-01 -1.212212286e-01 5.96 -1.196379715e-01 -1.196379715e-01 5.98 -1.171085468e-01 -1.171085468e-01 6.00 -1.129735658e-01 -1.129735658e-01