# 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 = MoTaTi2 # 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 8.755474359e+02 8.755474359e+02 1.08 7.837821880e+02 7.837821880e+02 1.10 7.011973084e+02 7.011973084e+02 1.12 6.268120923e+02 6.268120923e+02 1.14 5.602333722e+02 5.602333722e+02 1.16 5.008329946e+02 5.008329946e+02 1.18 4.479689608e+02 4.479689608e+02 1.20 4.012603335e+02 4.012603335e+02 1.22 3.602095668e+02 3.602095668e+02 1.24 3.239750697e+02 3.239750697e+02 1.26 2.922193098e+02 2.922193098e+02 1.28 2.649112323e+02 2.649112323e+02 1.30 2.407470006e+02 2.407470006e+02 1.32 2.186724214e+02 2.186724214e+02 1.34 1.985551969e+02 1.985551969e+02 1.36 1.804038643e+02 1.804038643e+02 1.38 1.640834491e+02 1.640834491e+02 1.40 1.492811022e+02 1.492811022e+02 1.42 1.356437248e+02 1.356437248e+02 1.44 1.231296514e+02 1.231296514e+02 1.46 1.116828609e+02 1.116828609e+02 1.48 1.011897889e+02 1.011897889e+02 1.50 9.164720346e+01 9.164720346e+01 1.52 8.305908888e+01 8.305908888e+01 1.54 7.527762559e+01 7.527762559e+01 1.56 6.813134929e+01 6.813134929e+01 1.58 6.156278666e+01 6.156278666e+01 1.60 5.557206204e+01 5.557206204e+01 1.62 5.013614675e+01 5.013614675e+01 1.64 4.521163953e+01 4.521163953e+01 1.66 4.075529693e+01 4.075529693e+01 1.68 3.669486187e+01 3.669486187e+01 1.70 3.292715643e+01 3.292715643e+01 1.72 2.941325436e+01 2.941325436e+01 1.74 2.621890476e+01 2.621890476e+01 1.76 2.339027693e+01 2.339027693e+01 1.78 2.085270196e+01 2.085270196e+01 1.80 1.855939204e+01 1.855939204e+01 1.82 1.649721510e+01 1.649721510e+01 1.84 1.471337119e+01 1.471337119e+01 1.86 1.311786461e+01 1.311786461e+01 1.88 1.171019707e+01 1.171019707e+01 1.90 1.044271616e+01 1.044271616e+01 1.92 9.247683259e+00 9.247683259e+00 1.94 8.093741729e+00 8.093741729e+00 1.96 7.001431797e+00 7.001431797e+00 1.98 6.040579002e+00 6.040579002e+00 2.00 5.248481421e+00 5.248481421e+00 2.02 4.580767764e+00 4.580767764e+00 2.04 3.972532622e+00 3.972532622e+00 2.06 3.367343116e+00 3.367343116e+00 2.08 2.762882785e+00 2.762882785e+00 2.10 2.200719644e+00 2.200719644e+00 2.12 1.587857641e+00 1.587857641e+00 2.14 1.024164568e+00 1.024164568e+00 2.16 5.293516167e-01 5.293516167e-01 2.18 9.564531465e-02 9.564531465e-02 2.20 -3.035879868e-01 -3.035879868e-01 2.22 -7.738915517e-01 -7.738915517e-01 2.24 -1.360962136e+00 -1.360962136e+00 2.26 -1.829140491e+00 -1.829140491e+00 2.28 -2.189546670e+00 -2.189546670e+00 2.30 -2.507951044e+00 -2.507951044e+00 2.32 -2.803043239e+00 -2.803043239e+00 2.34 -3.084065844e+00 -3.084065844e+00 2.36 -3.353138577e+00 -3.353138577e+00 2.38 -3.605661177e+00 -3.605661177e+00 2.40 -3.853673599e+00 -3.853673599e+00 2.42 -4.109695095e+00 -4.109695095e+00 2.44 -4.365820134e+00 -4.365820134e+00 2.46 -4.614168386e+00 -4.614168386e+00 2.48 -4.817724700e+00 -4.817724700e+00 2.50 -4.996752839e+00 -4.996752839e+00 2.52 -5.155119856e+00 -5.155119856e+00 2.54 -5.295427076e+00 -5.295427076e+00 2.56 -5.419737620e+00 -5.419737620e+00 2.58 -5.530894871e+00 -5.530894871e+00 2.60 -5.631704336e+00 -5.631704336e+00 2.62 -5.732773220e+00 -5.732773220e+00 2.64 -5.832817061e+00 -5.832817061e+00 2.66 -5.923900511e+00 -5.923900511e+00 2.68 -6.004113570e+00 -6.004113570e+00 2.70 -6.063013308e+00 -6.063013308e+00 2.72 -6.098643031e+00 -6.098643031e+00 2.74 -6.120029672e+00 -6.120029672e+00 2.76 -6.132346855e+00 -6.132346855e+00 2.78 -6.134152805e+00 -6.134152805e+00 2.80 -6.125477598e+00 -6.125477598e+00 2.82 -6.111731396e+00 -6.111731396e+00 2.84 -6.085657469e+00 -6.085657469e+00 2.86 -6.048582229e+00 -6.048582229e+00 2.88 -6.011838848e+00 -6.011838848e+00 2.90 -5.981072605e+00 -5.981072605e+00 2.92 -5.953709823e+00 -5.953709823e+00 2.94 -5.922142897e+00 -5.922142897e+00 2.96 -5.880572810e+00 -5.880572810e+00 2.98 -5.832286928e+00 -5.832286928e+00 3.00 -5.782564681e+00 -5.782564681e+00 3.02 -5.731581253e+00 -5.731581253e+00 3.04 -5.681564566e+00 -5.681564566e+00 3.06 -5.634515002e+00 -5.634515002e+00 3.08 -5.581712309e+00 -5.581712309e+00 3.10 -5.515023135e+00 -5.515023135e+00 3.12 -5.440278846e+00 -5.440278846e+00 3.14 -5.360400592e+00 -5.360400592e+00 3.16 -5.272820769e+00 -5.272820769e+00 3.18 -5.173760990e+00 -5.173760990e+00 3.20 -5.071527275e+00 -5.071527275e+00 3.22 -4.981289752e+00 -4.981289752e+00 3.24 -4.917647802e+00 -4.917647802e+00 3.26 -4.867952695e+00 -4.867952695e+00 3.28 -4.819887545e+00 -4.819887545e+00 3.30 -4.772006080e+00 -4.772006080e+00 3.32 -4.722000392e+00 -4.722000392e+00 3.34 -4.666857506e+00 -4.666857506e+00 3.36 -4.602434615e+00 -4.602434615e+00 3.38 -4.523360244e+00 -4.523360244e+00 3.40 -4.427879439e+00 -4.427879439e+00 3.42 -4.319160410e+00 -4.319160410e+00 3.44 -4.198994259e+00 -4.198994259e+00 3.46 -4.070947732e+00 -4.070947732e+00 3.48 -3.939235307e+00 -3.939235307e+00 3.50 -3.798010638e+00 -3.798010638e+00 3.52 -3.637785249e+00 -3.637785249e+00 3.54 -3.459900039e+00 -3.459900039e+00 3.56 -3.280932508e+00 -3.280932508e+00 3.58 -3.119706398e+00 -3.119706398e+00 3.60 -2.973118845e+00 -2.973118845e+00 3.62 -2.836673897e+00 -2.836673897e+00 3.64 -2.714016267e+00 -2.714016267e+00 3.66 -2.609089762e+00 -2.609089762e+00 3.68 -2.519883588e+00 -2.519883588e+00 3.70 -2.441696005e+00 -2.441696005e+00 3.72 -2.369649711e+00 -2.369649711e+00 3.74 -2.303390660e+00 -2.303390660e+00 3.76 -2.250139321e+00 -2.250139321e+00 3.78 -2.216426014e+00 -2.216426014e+00 3.80 -2.208426956e+00 -2.208426956e+00 3.82 -2.210466145e+00 -2.210466145e+00 3.84 -2.212798723e+00 -2.212798723e+00 3.86 -2.213841510e+00 -2.213841510e+00 3.88 -2.212157810e+00 -2.212157810e+00 3.90 -2.206703682e+00 -2.206703682e+00 3.92 -2.196486483e+00 -2.196486483e+00 3.94 -2.181016678e+00 -2.181016678e+00 3.96 -2.160915305e+00 -2.160915305e+00 3.98 -2.137009253e+00 -2.137009253e+00 4.00 -2.110254246e+00 -2.110254246e+00 4.02 -2.081699044e+00 -2.081699044e+00 4.04 -2.051831018e+00 -2.051831018e+00 4.06 -2.020747463e+00 -2.020747463e+00 4.08 -1.988356725e+00 -1.988356725e+00 4.10 -1.954512658e+00 -1.954512658e+00 4.12 -1.919541150e+00 -1.919541150e+00 4.14 -1.884717438e+00 -1.884717438e+00 4.16 -1.851381347e+00 -1.851381347e+00 4.18 -1.820728059e+00 -1.820728059e+00 4.20 -1.793689613e+00 -1.793689613e+00 4.22 -1.770164569e+00 -1.770164569e+00 4.24 -1.749167981e+00 -1.749167981e+00 4.26 -1.729796580e+00 -1.729796580e+00 4.28 -1.711303084e+00 -1.711303084e+00 4.30 -1.693053925e+00 -1.693053925e+00 4.32 -1.674500764e+00 -1.674500764e+00 4.34 -1.655272834e+00 -1.655272834e+00 4.36 -1.635620980e+00 -1.635620980e+00 4.38 -1.615924892e+00 -1.615924892e+00 4.40 -1.596550186e+00 -1.596550186e+00 4.42 -1.577859090e+00 -1.577859090e+00 4.44 -1.560209754e+00 -1.560209754e+00 4.46 -1.543594042e+00 -1.543594042e+00 4.48 -1.527290321e+00 -1.527290321e+00 4.50 -1.510728550e+00 -1.510728550e+00 4.52 -1.493328968e+00 -1.493328968e+00 4.54 -1.474474098e+00 -1.474474098e+00 4.56 -1.453511409e+00 -1.453511409e+00 4.58 -1.429960996e+00 -1.429960996e+00 4.60 -1.403653515e+00 -1.403653515e+00 4.62 -1.374714188e+00 -1.374714188e+00 4.64 -1.343506793e+00 -1.343506793e+00 4.66 -1.310438726e+00 -1.310438726e+00 4.68 -1.275955679e+00 -1.275955679e+00 4.70 -1.240669216e+00 -1.240669216e+00 4.72 -1.205368165e+00 -1.205368165e+00 4.74 -1.170791830e+00 -1.170791830e+00 4.76 -1.137292291e+00 -1.137292291e+00 4.78 -1.105101013e+00 -1.105101013e+00 4.80 -1.074440042e+00 -1.074440042e+00 4.82 -1.045387971e+00 -1.045387971e+00 4.84 -1.017939770e+00 -1.017939770e+00 4.86 -9.920841663e-01 -9.920841663e-01 4.88 -9.677208096e-01 -9.677208096e-01 4.90 -9.445524990e-01 -9.445524990e-01 4.92 -9.221856874e-01 -9.221856874e-01 4.94 -8.999198866e-01 -8.999198866e-01 4.96 -8.769184682e-01 -8.769184682e-01 4.98 -8.523102740e-01 -8.523102740e-01 5.00 -8.252067868e-01 -8.252067868e-01 5.02 -7.953666530e-01 -7.953666530e-01 5.04 -7.633924964e-01 -7.633924964e-01 5.06 -7.305037829e-01 -7.305037829e-01 5.08 -6.981355137e-01 -6.981355137e-01 5.10 -6.677943182e-01 -6.677943182e-01 5.12 -6.410327705e-01 -6.410327705e-01 5.14 -6.192557237e-01 -6.192557237e-01 5.16 -6.021763974e-01 -6.021763974e-01 5.18 -5.879014551e-01 -5.879014551e-01 5.20 -5.743706508e-01 -5.743706508e-01 5.22 -5.595130561e-01 -5.595130561e-01 5.24 -5.412513616e-01 -5.412513616e-01 5.26 -5.175559718e-01 -5.175559718e-01 5.28 -4.884357945e-01 -4.884357945e-01 5.30 -4.565455102e-01 -4.565455102e-01 5.32 -4.247706214e-01 -4.247706214e-01 5.34 -3.960382252e-01 -3.960382252e-01 5.36 -3.733132188e-01 -3.733132188e-01 5.38 -3.571398782e-01 -3.571398782e-01 5.40 -3.403266150e-01 -3.403266150e-01 5.42 -3.223104671e-01 -3.223104671e-01 5.44 -3.035802263e-01 -3.035802263e-01 5.46 -2.846532520e-01 -2.846532520e-01 5.48 -2.660506641e-01 -2.660506641e-01 5.50 -2.482961905e-01 -2.482961905e-01 5.52 -2.319146689e-01 -2.319146689e-01 5.54 -2.173977993e-01 -2.173977993e-01 5.56 -2.048578111e-01 -2.048578111e-01 5.58 -1.941649694e-01 -1.941649694e-01 5.60 -1.851832327e-01 -1.851832327e-01 5.62 -1.777764944e-01 -1.777764944e-01 5.64 -1.718094453e-01 -1.718094453e-01 5.66 -1.671334424e-01 -1.671334424e-01 5.68 -1.635847290e-01 -1.635847290e-01 5.70 -1.610599058e-01 -1.610599058e-01 5.72 -1.595090954e-01 -1.595090954e-01 5.74 -1.588804955e-01 -1.588804955e-01 5.76 -1.591028672e-01 -1.591028672e-01 5.78 -1.600755417e-01 -1.600755417e-01 5.80 -1.616663963e-01 -1.616663963e-01 5.82 -1.637241972e-01 -1.637241972e-01 5.84 -1.661010312e-01 -1.661010312e-01 5.86 -1.686680487e-01 -1.686680487e-01 5.88 -1.713285309e-01 -1.713285309e-01 5.90 -1.740252861e-01 -1.740252861e-01 5.92 -1.767371313e-01 -1.767371313e-01 5.94 -1.794368523e-01 -1.794368523e-01 5.96 -1.816081029e-01 -1.816081029e-01 5.98 -1.822161394e-01 -1.822161394e-01 6.00 -1.801321257e-01 -1.801321257e-01