# 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 = NbTa2Ti # 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 1.184432975e+03 1.184432975e+03 1.08 1.038493387e+03 1.038493387e+03 1.10 9.108531436e+02 9.108531436e+02 1.12 7.991830882e+02 7.991830882e+02 1.14 7.016161279e+02 7.016161279e+02 1.16 6.158746552e+02 6.158746552e+02 1.18 5.407701368e+02 5.407701368e+02 1.20 4.754878734e+02 4.754878734e+02 1.22 4.188642568e+02 4.188642568e+02 1.24 3.697678537e+02 3.697678537e+02 1.26 3.275733330e+02 3.275733330e+02 1.28 2.917538467e+02 2.917538467e+02 1.30 2.606277388e+02 2.606277388e+02 1.32 2.330127679e+02 2.330127679e+02 1.34 2.085576016e+02 2.085576016e+02 1.36 1.869901410e+02 1.869901410e+02 1.38 1.677641304e+02 1.677641304e+02 1.40 1.505453496e+02 1.505453496e+02 1.42 1.349950816e+02 1.349950816e+02 1.44 1.209980744e+02 1.209980744e+02 1.46 1.085370642e+02 1.085370642e+02 1.48 9.754542023e+01 9.754542023e+01 1.50 8.785591765e+01 8.785591765e+01 1.52 7.926320839e+01 7.926320839e+01 1.54 7.150310734e+01 7.150310734e+01 1.56 6.441668412e+01 6.441668412e+01 1.58 5.789798870e+01 5.789798870e+01 1.60 5.194672659e+01 5.194672659e+01 1.62 4.661969295e+01 4.661969295e+01 1.64 4.193673068e+01 4.193673068e+01 1.66 3.777533573e+01 3.777533573e+01 1.68 3.401141659e+01 3.401141659e+01 1.70 3.057301212e+01 3.057301212e+01 1.72 2.739634069e+01 2.739634069e+01 1.74 2.450147618e+01 2.450147618e+01 1.76 2.191787420e+01 2.191787420e+01 1.78 1.958573088e+01 1.958573088e+01 1.80 1.744389461e+01 1.744389461e+01 1.82 1.551669764e+01 1.551669764e+01 1.84 1.381228620e+01 1.381228620e+01 1.86 1.232101525e+01 1.232101525e+01 1.88 1.104074682e+01 1.104074682e+01 1.90 9.907606174e+00 9.907606174e+00 1.92 8.864664484e+00 8.864664484e+00 1.94 7.927843148e+00 7.927843148e+00 1.96 7.078573052e+00 7.078573052e+00 1.98 6.349390842e+00 6.349390842e+00 2.00 5.725960604e+00 5.725960604e+00 2.02 5.181687652e+00 5.181687652e+00 2.04 4.617707556e+00 4.617707556e+00 2.06 4.010231073e+00 4.010231073e+00 2.08 3.397420797e+00 3.397420797e+00 2.10 2.806347711e+00 2.806347711e+00 2.12 2.269122790e+00 2.269122790e+00 2.14 1.788168147e+00 1.788168147e+00 2.16 1.335796606e+00 1.335796606e+00 2.18 8.952435438e-01 8.952435438e-01 2.20 4.607977182e-01 4.607977182e-01 2.22 4.564487623e-03 4.564487623e-03 2.24 -4.423361108e-01 -4.423361108e-01 2.26 -1.030261348e+00 -1.030261348e+00 2.28 -1.537652219e+00 -1.537652219e+00 2.30 -2.007182382e+00 -2.007182382e+00 2.32 -2.428588077e+00 -2.428588077e+00 2.34 -2.825278941e+00 -2.825278941e+00 2.36 -3.208391226e+00 -3.208391226e+00 2.38 -3.562329853e+00 -3.562329853e+00 2.40 -3.898371444e+00 -3.898371444e+00 2.42 -4.237678902e+00 -4.237678902e+00 2.44 -4.576788790e+00 -4.576788790e+00 2.46 -4.899283250e+00 -4.899283250e+00 2.48 -5.167868297e+00 -5.167868297e+00 2.50 -5.413376373e+00 -5.413376373e+00 2.52 -5.638117506e+00 -5.638117506e+00 2.54 -5.842785614e+00 -5.842785614e+00 2.56 -6.026764099e+00 -6.026764099e+00 2.58 -6.186594319e+00 -6.186594319e+00 2.60 -6.321484872e+00 -6.321484872e+00 2.62 -6.432679008e+00 -6.432679008e+00 2.64 -6.526934128e+00 -6.526934128e+00 2.66 -6.624561254e+00 -6.624561254e+00 2.68 -6.712831279e+00 -6.712831279e+00 2.70 -6.789183330e+00 -6.789183330e+00 2.72 -6.858852378e+00 -6.858852378e+00 2.74 -6.925897958e+00 -6.925897958e+00 2.76 -6.979836862e+00 -6.979836862e+00 2.78 -7.018144045e+00 -7.018144045e+00 2.80 -7.051118925e+00 -7.051118925e+00 2.82 -7.073423532e+00 -7.073423532e+00 2.84 -7.093220246e+00 -7.093220246e+00 2.86 -7.113321468e+00 -7.113321468e+00 2.88 -7.124852537e+00 -7.124852537e+00 2.90 -7.116303499e+00 -7.116303499e+00 2.92 -7.093943323e+00 -7.093943323e+00 2.94 -7.057067278e+00 -7.057067278e+00 2.96 -7.007381900e+00 -7.007381900e+00 2.98 -6.956503065e+00 -6.956503065e+00 3.00 -6.904893278e+00 -6.904893278e+00 3.02 -6.852003312e+00 -6.852003312e+00 3.04 -6.800440844e+00 -6.800440844e+00 3.06 -6.748692302e+00 -6.748692302e+00 3.08 -6.693322696e+00 -6.693322696e+00 3.10 -6.632724924e+00 -6.632724924e+00 3.12 -6.564636957e+00 -6.564636957e+00 3.14 -6.490806429e+00 -6.490806429e+00 3.16 -6.415249636e+00 -6.415249636e+00 3.18 -6.340861662e+00 -6.340861662e+00 3.20 -6.269030201e+00 -6.269030201e+00 3.22 -6.198971999e+00 -6.198971999e+00 3.24 -6.131175852e+00 -6.131175852e+00 3.26 -6.063186823e+00 -6.063186823e+00 3.28 -5.993193297e+00 -5.993193297e+00 3.30 -5.921706083e+00 -5.921706083e+00 3.32 -5.848916040e+00 -5.848916040e+00 3.34 -5.774384859e+00 -5.774384859e+00 3.36 -5.697701702e+00 -5.697701702e+00 3.38 -5.618691501e+00 -5.618691501e+00 3.40 -5.537413266e+00 -5.537413266e+00 3.42 -5.454060270e+00 -5.454060270e+00 3.44 -5.368267542e+00 -5.368267542e+00 3.46 -5.279012481e+00 -5.279012481e+00 3.48 -5.185311940e+00 -5.185311940e+00 3.50 -5.087546668e+00 -5.087546668e+00 3.52 -4.987018403e+00 -4.987018403e+00 3.54 -4.884920993e+00 -4.884920993e+00 3.56 -4.782713620e+00 -4.782713620e+00 3.58 -4.680647314e+00 -4.680647314e+00 3.60 -4.579246740e+00 -4.579246740e+00 3.62 -4.480264258e+00 -4.480264258e+00 3.64 -4.386249571e+00 -4.386249571e+00 3.66 -4.301463599e+00 -4.301463599e+00 3.68 -4.227764866e+00 -4.227764866e+00 3.70 -4.160971594e+00 -4.160971594e+00 3.72 -4.093773110e+00 -4.093773110e+00 3.74 -4.022680635e+00 -4.022680635e+00 3.76 -3.949722789e+00 -3.949722789e+00 3.78 -3.881935605e+00 -3.881935605e+00 3.80 -3.827322300e+00 -3.827322300e+00 3.82 -3.774645867e+00 -3.774645867e+00 3.84 -3.715999631e+00 -3.715999631e+00 3.86 -3.649378000e+00 -3.649378000e+00 3.88 -3.573416334e+00 -3.573416334e+00 3.90 -3.488474000e+00 -3.488474000e+00 3.92 -3.396566150e+00 -3.396566150e+00 3.94 -3.300443480e+00 -3.300443480e+00 3.96 -3.201947658e+00 -3.201947658e+00 3.98 -3.100831756e+00 -3.100831756e+00 4.00 -2.996026579e+00 -2.996026579e+00 4.02 -2.889515072e+00 -2.889515072e+00 4.04 -2.787029729e+00 -2.787029729e+00 4.06 -2.693146965e+00 -2.693146965e+00 4.08 -2.608793799e+00 -2.608793799e+00 4.10 -2.532380038e+00 -2.532380038e+00 4.12 -2.462994913e+00 -2.462994913e+00 4.14 -2.400800478e+00 -2.400800478e+00 4.16 -2.345995019e+00 -2.345995019e+00 4.18 -2.297132967e+00 -2.297132967e+00 4.20 -2.252407618e+00 -2.252407618e+00 4.22 -2.210811434e+00 -2.210811434e+00 4.24 -2.172384444e+00 -2.172384444e+00 4.26 -2.137520614e+00 -2.137520614e+00 4.28 -2.105972065e+00 -2.105972065e+00 4.30 -2.077037021e+00 -2.077037021e+00 4.32 -2.049717956e+00 -2.049717956e+00 4.34 -2.022908101e+00 -2.022908101e+00 4.36 -1.996478788e+00 -1.996478788e+00 4.38 -1.970739330e+00 -1.970739330e+00 4.40 -1.946085685e+00 -1.946085685e+00 4.42 -1.922977381e+00 -1.922977381e+00 4.44 -1.901931063e+00 -1.901931063e+00 4.46 -1.883043801e+00 -1.883043801e+00 4.48 -1.865435713e+00 -1.865435713e+00 4.50 -1.848453218e+00 -1.848453218e+00 4.52 -1.831433125e+00 -1.831433125e+00 4.54 -1.813667746e+00 -1.813667746e+00 4.56 -1.794396825e+00 -1.794396825e+00 4.58 -1.773230324e+00 -1.773230324e+00 4.60 -1.750433136e+00 -1.750433136e+00 4.62 -1.726142517e+00 -1.726142517e+00 4.64 -1.700389625e+00 -1.700389625e+00 4.66 -1.673251365e+00 -1.673251365e+00 4.68 -1.644846324e+00 -1.644846324e+00 4.70 -1.615197571e+00 -1.615197571e+00 4.72 -1.584216454e+00 -1.584216454e+00 4.74 -1.551930704e+00 -1.551930704e+00 4.76 -1.518923024e+00 -1.518923024e+00 4.78 -1.485950219e+00 -1.485950219e+00 4.80 -1.453743804e+00 -1.453743804e+00 4.82 -1.422764602e+00 -1.422764602e+00 4.84 -1.393300553e+00 -1.393300553e+00 4.86 -1.365618284e+00 -1.365618284e+00 4.88 -1.339506892e+00 -1.339506892e+00 4.90 -1.313761143e+00 -1.313761143e+00 4.92 -1.287107217e+00 -1.287107217e+00 4.94 -1.258727679e+00 -1.258727679e+00 4.96 -1.227963717e+00 -1.227963717e+00 4.98 -1.194155780e+00 -1.194155780e+00 5.00 -1.156729120e+00 -1.156729120e+00 5.02 -1.116567503e+00 -1.116567503e+00 5.04 -1.075808381e+00 -1.075808381e+00 5.06 -1.035983046e+00 -1.035983046e+00 5.08 -9.984451799e-01 -9.984451799e-01 5.10 -9.644479948e-01 -9.644479948e-01 5.12 -9.351022850e-01 -9.351022850e-01 5.14 -9.110944033e-01 -9.110944033e-01 5.16 -8.911666723e-01 -8.911666723e-01 5.18 -8.735263484e-01 -8.735263484e-01 5.20 -8.564889852e-01 -8.564889852e-01 5.22 -8.384238366e-01 -8.384238366e-01 5.24 -8.177063442e-01 -8.177063442e-01 5.26 -7.926902155e-01 -7.926902155e-01 5.28 -7.628516351e-01 -7.628516351e-01 5.30 -7.296727838e-01 -7.296727838e-01 5.32 -6.948039023e-01 -6.948039023e-01 5.34 -6.600439035e-01 -6.600439035e-01 5.36 -6.276840940e-01 -6.276840940e-01 5.38 -5.989695247e-01 -5.989695247e-01 5.40 -5.697090022e-01 -5.697090022e-01 5.42 -5.400439372e-01 -5.400439372e-01 5.44 -5.103811142e-01 -5.103811142e-01 5.46 -4.812622443e-01 -4.812622443e-01 5.48 -4.533636986e-01 -4.533636986e-01 5.50 -4.274525133e-01 -4.274525133e-01 5.52 -4.043291759e-01 -4.043291759e-01 5.54 -3.847105901e-01 -3.847105901e-01 5.56 -3.686118783e-01 -3.686118783e-01 5.58 -3.554708762e-01 -3.554708762e-01 5.60 -3.445428588e-01 -3.445428588e-01 5.62 -3.349903911e-01 -3.349903911e-01 5.64 -3.259406997e-01 -3.259406997e-01 5.66 -3.165193599e-01 -3.165193599e-01 5.68 -3.061485912e-01 -3.061485912e-01 5.70 -2.955212447e-01 -2.955212447e-01 5.72 -2.856804358e-01 -2.856804358e-01 5.74 -2.776634981e-01 -2.776634981e-01 5.76 -2.725034749e-01 -2.725034749e-01 5.78 -2.711836701e-01 -2.711836701e-01 5.80 -2.746839558e-01 -2.746839558e-01 5.82 -2.830741078e-01 -2.830741078e-01 5.84 -2.947153605e-01 -2.947153605e-01 5.86 -3.078420992e-01 -3.078420992e-01 5.88 -3.207974673e-01 -3.207974673e-01 5.90 -3.320377486e-01 -3.320377486e-01 5.92 -3.400572356e-01 -3.400572356e-01 5.94 -3.433781141e-01 -3.433781141e-01 5.96 -3.413332131e-01 -3.413332131e-01 5.98 -3.339244518e-01 -3.339244518e-01 6.00 -3.210442235e-01 -3.210442235e-01