# 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 = Ta2TiZr # 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 3.569798600e+02 3.569798600e+02 1.08 3.218021236e+02 3.218021236e+02 1.10 2.891472665e+02 2.891472665e+02 1.12 2.591407030e+02 2.591407030e+02 1.14 2.318154529e+02 2.318154529e+02 1.16 2.074248246e+02 2.074248246e+02 1.18 1.858240690e+02 1.858240690e+02 1.20 1.666631124e+02 1.666631124e+02 1.22 1.498295831e+02 1.498295831e+02 1.24 1.350869181e+02 1.350869181e+02 1.26 1.225284786e+02 1.225284786e+02 1.28 1.122479705e+02 1.122479705e+02 1.30 1.034368978e+02 1.034368978e+02 1.32 9.530016847e+01 9.530016847e+01 1.34 8.782892354e+01 8.782892354e+01 1.36 8.101327503e+01 8.101327503e+01 1.38 7.485000657e+01 7.485000657e+01 1.40 6.909563457e+01 6.909563457e+01 1.42 6.345935519e+01 6.345935519e+01 1.44 5.811189085e+01 5.811189085e+01 1.46 5.314745155e+01 5.314745155e+01 1.48 4.869206003e+01 4.869206003e+01 1.50 4.469519721e+01 4.469519721e+01 1.52 4.100770456e+01 4.100770456e+01 1.54 3.761947790e+01 3.761947790e+01 1.56 3.452118139e+01 3.452118139e+01 1.58 3.169334514e+01 3.169334514e+01 1.60 2.910549974e+01 2.910549974e+01 1.62 2.677036084e+01 2.677036084e+01 1.64 2.464695856e+01 2.464695856e+01 1.66 2.268826311e+01 2.268826311e+01 1.68 2.086336428e+01 2.086336428e+01 1.70 1.914051199e+01 1.914051199e+01 1.72 1.751505384e+01 1.751505384e+01 1.74 1.601413341e+01 1.601413341e+01 1.76 1.464029241e+01 1.464029241e+01 1.78 1.339273927e+01 1.339273927e+01 1.80 1.223387891e+01 1.223387891e+01 1.82 1.109470981e+01 1.109470981e+01 1.84 1.000348540e+01 1.000348540e+01 1.86 9.005671862e+00 9.005671862e+00 1.88 8.137163731e+00 8.137163731e+00 1.90 7.367208357e+00 7.367208357e+00 1.92 6.660811845e+00 6.660811845e+00 1.94 5.989991729e+00 5.989991729e+00 1.96 5.331282439e+00 5.331282439e+00 1.98 4.750019498e+00 4.750019498e+00 2.00 4.187872517e+00 4.187872517e+00 2.02 3.696061088e+00 3.696061088e+00 2.04 3.278475391e+00 3.278475391e+00 2.06 2.926057948e+00 2.926057948e+00 2.08 2.610202630e+00 2.610202630e+00 2.10 2.336334943e+00 2.336334943e+00 2.12 2.090763520e+00 2.090763520e+00 2.14 1.848575063e+00 1.848575063e+00 2.16 1.587249185e+00 1.587249185e+00 2.18 1.298025965e+00 1.298025965e+00 2.20 9.796760194e-01 9.796760194e-01 2.22 6.479223219e-01 6.479223219e-01 2.24 2.860497653e-01 2.860497653e-01 2.26 -2.224759860e-01 -2.224759860e-01 2.28 -6.648005809e-01 -6.648005809e-01 2.30 -1.074083677e+00 -1.074083677e+00 2.32 -1.446941312e+00 -1.446941312e+00 2.34 -1.838470903e+00 -1.838470903e+00 2.36 -2.221246933e+00 -2.221246933e+00 2.38 -2.600057237e+00 -2.600057237e+00 2.40 -2.968701439e+00 -2.968701439e+00 2.42 -3.306758766e+00 -3.306758766e+00 2.44 -3.646067581e+00 -3.646067581e+00 2.46 -3.971759135e+00 -3.971759135e+00 2.48 -4.258124236e+00 -4.258124236e+00 2.50 -4.517151035e+00 -4.517151035e+00 2.52 -4.751896685e+00 -4.751896685e+00 2.54 -4.965629350e+00 -4.965629350e+00 2.56 -5.161774877e+00 -5.161774877e+00 2.58 -5.342964616e+00 -5.342964616e+00 2.60 -5.511442609e+00 -5.511442609e+00 2.62 -5.668533783e+00 -5.668533783e+00 2.64 -5.813928898e+00 -5.813928898e+00 2.66 -5.957409876e+00 -5.957409876e+00 2.68 -6.083087910e+00 -6.083087910e+00 2.70 -6.192563485e+00 -6.192563485e+00 2.72 -6.290577381e+00 -6.290577381e+00 2.74 -6.371715640e+00 -6.371715640e+00 2.76 -6.439685334e+00 -6.439685334e+00 2.78 -6.502535802e+00 -6.502535802e+00 2.80 -6.553207405e+00 -6.553207405e+00 2.82 -6.599730836e+00 -6.599730836e+00 2.84 -6.645226907e+00 -6.645226907e+00 2.86 -6.684130334e+00 -6.684130334e+00 2.88 -6.711297058e+00 -6.711297058e+00 2.90 -6.724278110e+00 -6.724278110e+00 2.92 -6.727872882e+00 -6.727872882e+00 2.94 -6.721201103e+00 -6.721201103e+00 2.96 -6.697470882e+00 -6.697470882e+00 2.98 -6.662722567e+00 -6.662722567e+00 3.00 -6.623738218e+00 -6.623738218e+00 3.02 -6.578882957e+00 -6.578882957e+00 3.04 -6.533992692e+00 -6.533992692e+00 3.06 -6.495426202e+00 -6.495426202e+00 3.08 -6.463355863e+00 -6.463355863e+00 3.10 -6.436403883e+00 -6.436403883e+00 3.12 -6.403875710e+00 -6.403875710e+00 3.14 -6.348120745e+00 -6.348120745e+00 3.16 -6.272852372e+00 -6.272852372e+00 3.18 -6.192146852e+00 -6.192146852e+00 3.20 -6.105491518e+00 -6.105491518e+00 3.22 -6.017341451e+00 -6.017341451e+00 3.24 -5.949316623e+00 -5.949316623e+00 3.26 -5.896301449e+00 -5.896301449e+00 3.28 -5.844370949e+00 -5.844370949e+00 3.30 -5.793641133e+00 -5.793641133e+00 3.32 -5.743616038e+00 -5.743616038e+00 3.34 -5.693659132e+00 -5.693659132e+00 3.36 -5.643103567e+00 -5.643103567e+00 3.38 -5.591357974e+00 -5.591357974e+00 3.40 -5.537803361e+00 -5.537803361e+00 3.42 -5.481761526e+00 -5.481761526e+00 3.44 -5.422694448e+00 -5.422694448e+00 3.46 -5.359744765e+00 -5.359744765e+00 3.48 -5.291947747e+00 -5.291947747e+00 3.50 -5.218767983e+00 -5.218767983e+00 3.52 -5.140246285e+00 -5.140246285e+00 3.54 -5.056762033e+00 -5.056762033e+00 3.56 -4.968834596e+00 -4.968834596e+00 3.58 -4.877202258e+00 -4.877202258e+00 3.60 -4.784043311e+00 -4.784043311e+00 3.62 -4.692100742e+00 -4.692100742e+00 3.64 -4.605415107e+00 -4.605415107e+00 3.66 -4.527883230e+00 -4.527883230e+00 3.68 -4.460001283e+00 -4.460001283e+00 3.70 -4.394318645e+00 -4.394318645e+00 3.72 -4.322164851e+00 -4.322164851e+00 3.74 -4.240697324e+00 -4.240697324e+00 3.76 -4.159307170e+00 -4.159307170e+00 3.78 -4.092964075e+00 -4.092964075e+00 3.80 -4.052299714e+00 -4.052299714e+00 3.82 -4.023565938e+00 -4.023565938e+00 3.84 -3.995981398e+00 -3.995981398e+00 3.86 -3.965650078e+00 -3.965650078e+00 3.88 -3.928885440e+00 -3.928885440e+00 3.90 -3.882531993e+00 -3.882531993e+00 3.92 -3.823141591e+00 -3.823141591e+00 3.94 -3.747734678e+00 -3.747734678e+00 3.96 -3.656239716e+00 -3.656239716e+00 3.98 -3.548423484e+00 -3.548423484e+00 4.00 -3.425316022e+00 -3.425316022e+00 4.02 -3.290743360e+00 -3.290743360e+00 4.04 -3.150770495e+00 -3.150770495e+00 4.06 -3.010517856e+00 -3.010517856e+00 4.08 -2.870809288e+00 -2.870809288e+00 4.10 -2.731329812e+00 -2.731329812e+00 4.12 -2.598136549e+00 -2.598136549e+00 4.14 -2.482294705e+00 -2.482294705e+00 4.16 -2.391501401e+00 -2.391501401e+00 4.18 -2.320787793e+00 -2.320787793e+00 4.20 -2.260786556e+00 -2.260786556e+00 4.22 -2.204449233e+00 -2.204449233e+00 4.24 -2.149083589e+00 -2.149083589e+00 4.26 -2.095078494e+00 -2.095078494e+00 4.28 -2.042676848e+00 -2.042676848e+00 4.30 -1.991546570e+00 -1.991546570e+00 4.32 -1.940972630e+00 -1.940972630e+00 4.34 -1.890275088e+00 -1.890275088e+00 4.36 -1.840212470e+00 -1.840212470e+00 4.38 -1.792063504e+00 -1.792063504e+00 4.40 -1.747081170e+00 -1.747081170e+00 4.42 -1.706371825e+00 -1.706371825e+00 4.44 -1.670735487e+00 -1.670735487e+00 4.46 -1.640004867e+00 -1.640004867e+00 4.48 -1.612792718e+00 -1.612792718e+00 4.50 -1.587727379e+00 -1.587727379e+00 4.52 -1.563547148e+00 -1.563547148e+00 4.54 -1.539052354e+00 -1.539052354e+00 4.56 -1.513055677e+00 -1.513055677e+00 4.58 -1.484781091e+00 -1.484781091e+00 4.60 -1.454119241e+00 -1.454119241e+00 4.62 -1.421186669e+00 -1.421186669e+00 4.64 -1.386272017e+00 -1.386272017e+00 4.66 -1.349818900e+00 -1.349818900e+00 4.68 -1.312712159e+00 -1.312712159e+00 4.70 -1.275898267e+00 -1.275898267e+00 4.72 -1.240244275e+00 -1.240244275e+00 4.74 -1.206510847e+00 -1.206510847e+00 4.76 -1.175031269e+00 -1.175031269e+00 4.78 -1.145981046e+00 -1.145981046e+00 4.80 -1.119447432e+00 -1.119447432e+00 4.82 -1.095090779e+00 -1.095090779e+00 4.84 -1.072311754e+00 -1.072311754e+00 4.86 -1.050491527e+00 -1.050491527e+00 4.88 -1.028987957e+00 -1.028987957e+00 4.90 -1.007057396e+00 -1.007057396e+00 4.92 -9.840030023e-01 -9.840030023e-01 4.94 -9.595842153e-01 -9.595842153e-01 4.96 -9.337049137e-01 -9.337049137e-01 4.98 -9.062325974e-01 -9.062325974e-01 5.00 -8.770062719e-01 -8.770062719e-01 5.02 -8.463681511e-01 -8.463681511e-01 5.04 -8.150638752e-01 -8.150638752e-01 5.06 -7.834519706e-01 -7.834519706e-01 5.08 -7.518850332e-01 -7.518850332e-01 5.10 -7.208347347e-01 -7.208347347e-01 5.12 -6.909093658e-01 -6.909093658e-01 5.14 -6.627156812e-01 -6.627156812e-01 5.16 -6.359598887e-01 -6.359598887e-01 5.18 -6.099185955e-01 -6.099185955e-01 5.20 -5.837899889e-01 -5.837899889e-01 5.22 -5.566966430e-01 -5.566966430e-01 5.24 -5.276893230e-01 -5.276893230e-01 5.26 -4.957869349e-01 -4.957869349e-01 5.28 -4.610779073e-01 -4.610779073e-01 5.30 -4.253893715e-01 -4.253893715e-01 5.32 -3.908173020e-01 -3.908173020e-01 5.34 -3.595216254e-01 -3.595216254e-01 5.36 -3.337125587e-01 -3.337125587e-01 5.38 -3.140102273e-01 -3.140102273e-01 5.40 -2.959705809e-01 -2.959705809e-01 5.42 -2.793862077e-01 -2.793862077e-01 5.44 -2.642734436e-01 -2.642734436e-01 5.46 -2.506081685e-01 -2.506081685e-01 5.48 -2.383613970e-01 -2.383613970e-01 5.50 -2.274987730e-01 -2.274987730e-01 5.52 -2.179810168e-01 -2.179810168e-01 5.54 -2.097411538e-01 -2.097411538e-01 5.56 -2.025166196e-01 -2.025166196e-01 5.58 -1.959840448e-01 -1.959840448e-01 5.60 -1.898228910e-01 -1.898228910e-01 5.62 -1.837117239e-01 -1.837117239e-01 5.64 -1.773285685e-01 -1.773285685e-01 5.66 -1.703512910e-01 -1.703512910e-01 5.68 -1.625820597e-01 -1.625820597e-01 5.70 -1.543413197e-01 -1.543413197e-01 5.72 -1.460763662e-01 -1.460763662e-01 5.74 -1.382351177e-01 -1.382351177e-01 5.76 -1.312653870e-01 -1.312653870e-01 5.78 -1.256147735e-01 -1.256147735e-01 5.80 -1.217274648e-01 -1.217274648e-01 5.82 -1.197579172e-01 -1.197579172e-01 5.84 -1.193535979e-01 -1.193535979e-01 5.86 -1.201196830e-01 -1.201196830e-01 5.88 -1.216630666e-01 -1.216630666e-01 5.90 -1.235923898e-01 -1.235923898e-01 5.92 -1.255171808e-01 -1.255171808e-01 5.94 -1.270537564e-01 -1.270537564e-01 5.96 -1.278097233e-01 -1.278097233e-01 5.98 -1.272435481e-01 -1.272435481e-01 6.00 -1.247875454e-01 -1.247875454e-01