# 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 = Nb2TaZr # 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 5.397925902e+02 5.397925902e+02 1.08 4.822441425e+02 4.822441425e+02 1.10 4.316303261e+02 4.316303261e+02 1.12 3.872207413e+02 3.872207413e+02 1.14 3.477948263e+02 3.477948263e+02 1.16 3.130023772e+02 3.130023772e+02 1.18 2.821170448e+02 2.821170448e+02 1.20 2.540400111e+02 2.540400111e+02 1.22 2.289507833e+02 2.289507833e+02 1.24 2.067591526e+02 2.067591526e+02 1.26 1.870367165e+02 1.870367165e+02 1.28 1.694772898e+02 1.694772898e+02 1.30 1.537581964e+02 1.537581964e+02 1.32 1.395391768e+02 1.395391768e+02 1.34 1.266774663e+02 1.266774663e+02 1.36 1.149600803e+02 1.149600803e+02 1.38 1.044155475e+02 1.044155475e+02 1.40 9.482216702e+01 9.482216702e+01 1.42 8.593685300e+01 8.593685300e+01 1.44 7.784966879e+01 7.784966879e+01 1.46 7.051652093e+01 7.051652093e+01 1.48 6.413946526e+01 6.413946526e+01 1.50 5.832140670e+01 5.832140670e+01 1.52 5.308225517e+01 5.308225517e+01 1.54 4.843491391e+01 4.843491391e+01 1.56 4.419321263e+01 4.419321263e+01 1.58 4.022379437e+01 4.022379437e+01 1.60 3.656357773e+01 3.656357773e+01 1.62 3.328562764e+01 3.328562764e+01 1.64 3.036412824e+01 3.036412824e+01 1.66 2.772015851e+01 2.772015851e+01 1.68 2.528607855e+01 2.528607855e+01 1.70 2.309292734e+01 2.309292734e+01 1.72 2.114614632e+01 2.114614632e+01 1.74 1.935778617e+01 1.935778617e+01 1.76 1.767499259e+01 1.767499259e+01 1.78 1.612791536e+01 1.612791536e+01 1.80 1.472072439e+01 1.472072439e+01 1.82 1.340497190e+01 1.340497190e+01 1.84 1.219051965e+01 1.219051965e+01 1.86 1.108351865e+01 1.108351865e+01 1.88 1.006191861e+01 1.006191861e+01 1.90 9.109890675e+00 9.109890675e+00 1.92 8.233669882e+00 8.233669882e+00 1.94 7.445065146e+00 7.445065146e+00 1.96 6.739296646e+00 6.739296646e+00 1.98 6.087976931e+00 6.087976931e+00 2.00 5.460518842e+00 5.460518842e+00 2.02 4.869062054e+00 4.869062054e+00 2.04 4.321539686e+00 4.321539686e+00 2.06 3.788272062e+00 3.788272062e+00 2.08 3.243389996e+00 3.243389996e+00 2.10 2.721150230e+00 2.721150230e+00 2.12 2.207428025e+00 2.207428025e+00 2.14 1.729978608e+00 1.729978608e+00 2.16 1.287077043e+00 1.287077043e+00 2.18 8.781539593e-01 8.781539593e-01 2.20 5.126458764e-01 5.126458764e-01 2.22 1.438270101e-01 1.438270101e-01 2.24 -1.925146856e-01 -1.925146856e-01 2.26 -5.282109397e-01 -5.282109397e-01 2.28 -9.423056097e-01 -9.423056097e-01 2.30 -1.430457641e+00 -1.430457641e+00 2.32 -1.870198722e+00 -1.870198722e+00 2.34 -2.270245280e+00 -2.270245280e+00 2.36 -2.647778044e+00 -2.647778044e+00 2.38 -3.013582249e+00 -3.013582249e+00 2.40 -3.362153027e+00 -3.362153027e+00 2.42 -3.687944836e+00 -3.687944836e+00 2.44 -3.986251473e+00 -3.986251473e+00 2.46 -4.268744734e+00 -4.268744734e+00 2.48 -4.542478571e+00 -4.542478571e+00 2.50 -4.802629590e+00 -4.802629590e+00 2.52 -5.049220918e+00 -5.049220918e+00 2.54 -5.281169489e+00 -5.281169489e+00 2.56 -5.506706043e+00 -5.506706043e+00 2.58 -5.711344783e+00 -5.711344783e+00 2.60 -5.905244183e+00 -5.905244183e+00 2.62 -6.101966783e+00 -6.101966783e+00 2.64 -6.291333275e+00 -6.291333275e+00 2.66 -6.468656226e+00 -6.468656226e+00 2.68 -6.624136334e+00 -6.624136334e+00 2.70 -6.745860720e+00 -6.745860720e+00 2.72 -6.844999052e+00 -6.844999052e+00 2.74 -6.931939020e+00 -6.931939020e+00 2.76 -7.015371404e+00 -7.015371404e+00 2.78 -7.094813724e+00 -7.094813724e+00 2.80 -7.166120874e+00 -7.166120874e+00 2.82 -7.223893520e+00 -7.223893520e+00 2.84 -7.265574244e+00 -7.265574244e+00 2.86 -7.293635541e+00 -7.293635541e+00 2.88 -7.309059894e+00 -7.309059894e+00 2.90 -7.309945808e+00 -7.309945808e+00 2.92 -7.299281968e+00 -7.299281968e+00 2.94 -7.283292414e+00 -7.283292414e+00 2.96 -7.266836330e+00 -7.266836330e+00 2.98 -7.252075016e+00 -7.252075016e+00 3.00 -7.235353174e+00 -7.235353174e+00 3.02 -7.213475379e+00 -7.213475379e+00 3.04 -7.186800078e+00 -7.186800078e+00 3.06 -7.157811065e+00 -7.157811065e+00 3.08 -7.129102862e+00 -7.129102862e+00 3.10 -7.102795612e+00 -7.102795612e+00 3.12 -7.075484779e+00 -7.075484779e+00 3.14 -7.039545239e+00 -7.039545239e+00 3.16 -6.991511930e+00 -6.991511930e+00 3.18 -6.927219168e+00 -6.927219168e+00 3.20 -6.853242065e+00 -6.853242065e+00 3.22 -6.783465012e+00 -6.783465012e+00 3.24 -6.732050169e+00 -6.732050169e+00 3.26 -6.689539239e+00 -6.689539239e+00 3.28 -6.646395653e+00 -6.646395653e+00 3.30 -6.602511581e+00 -6.602511581e+00 3.32 -6.555806391e+00 -6.555806391e+00 3.34 -6.503154640e+00 -6.503154640e+00 3.36 -6.441487012e+00 -6.441487012e+00 3.38 -6.368387482e+00 -6.368387482e+00 3.40 -6.282261738e+00 -6.282261738e+00 3.42 -6.183273698e+00 -6.183273698e+00 3.44 -6.074748632e+00 -6.074748632e+00 3.46 -5.961301020e+00 -5.961301020e+00 3.48 -5.848990817e+00 -5.848990817e+00 3.50 -5.744300623e+00 -5.744300623e+00 3.52 -5.653130090e+00 -5.653130090e+00 3.54 -5.575097813e+00 -5.575097813e+00 3.56 -5.502561251e+00 -5.502561251e+00 3.58 -5.431031872e+00 -5.431031872e+00 3.60 -5.366727759e+00 -5.366727759e+00 3.62 -5.312534203e+00 -5.312534203e+00 3.64 -5.259041891e+00 -5.259041891e+00 3.66 -5.199904046e+00 -5.199904046e+00 3.68 -5.135104001e+00 -5.135104001e+00 3.70 -5.065662317e+00 -5.065662317e+00 3.72 -4.992294085e+00 -4.992294085e+00 3.74 -4.915536743e+00 -4.915536743e+00 3.76 -4.835999336e+00 -4.835999336e+00 3.78 -4.754548904e+00 -4.754548904e+00 3.80 -4.672033672e+00 -4.672033672e+00 3.82 -4.580828727e+00 -4.580828727e+00 3.84 -4.476567542e+00 -4.476567542e+00 3.86 -4.359191856e+00 -4.359191856e+00 3.88 -4.230957435e+00 -4.230957435e+00 3.90 -4.091726371e+00 -4.091726371e+00 3.92 -3.930197207e+00 -3.930197207e+00 3.94 -3.732161076e+00 -3.732161076e+00 3.96 -3.521406609e+00 -3.521406609e+00 3.98 -3.344701953e+00 -3.344701953e+00 4.00 -3.200807770e+00 -3.200807770e+00 4.02 -3.060256919e+00 -3.060256919e+00 4.04 -2.923223037e+00 -2.923223037e+00 4.06 -2.804742547e+00 -2.804742547e+00 4.08 -2.706551935e+00 -2.706551935e+00 4.10 -2.623080931e+00 -2.623080931e+00 4.12 -2.551118469e+00 -2.551118469e+00 4.14 -2.489061495e+00 -2.489061495e+00 4.16 -2.435153090e+00 -2.435153090e+00 4.18 -2.387409367e+00 -2.387409367e+00 4.20 -2.344213963e+00 -2.344213963e+00 4.22 -2.305347951e+00 -2.305347951e+00 4.24 -2.270660018e+00 -2.270660018e+00 4.26 -2.239586591e+00 -2.239586591e+00 4.28 -2.211269731e+00 -2.211269731e+00 4.30 -2.184648834e+00 -2.184648834e+00 4.32 -2.158538154e+00 -2.158538154e+00 4.34 -2.131987988e+00 -2.131987988e+00 4.36 -2.105362547e+00 -2.105362547e+00 4.38 -2.079302888e+00 -2.079302888e+00 4.40 -2.054275611e+00 -2.054275611e+00 4.42 -2.030828096e+00 -2.030828096e+00 4.44 -2.009626872e+00 -2.009626872e+00 4.46 -1.991128060e+00 -1.991128060e+00 4.48 -1.974919185e+00 -1.974919185e+00 4.50 -1.960318444e+00 -1.960318444e+00 4.52 -1.946592699e+00 -1.946592699e+00 4.54 -1.932962817e+00 -1.932962817e+00 4.56 -1.918611595e+00 -1.918611595e+00 4.58 -1.902915237e+00 -1.902915237e+00 4.60 -1.885644049e+00 -1.885644049e+00 4.62 -1.866625839e+00 -1.866625839e+00 4.64 -1.845711182e+00 -1.845711182e+00 4.66 -1.822768449e+00 -1.822768449e+00 4.68 -1.797675929e+00 -1.797675929e+00 4.70 -1.770208283e+00 -1.770208283e+00 4.72 -1.739953246e+00 -1.739953246e+00 4.74 -1.706641405e+00 -1.706641405e+00 4.76 -1.670769410e+00 -1.670769410e+00 4.78 -1.633104252e+00 -1.633104252e+00 4.80 -1.594424419e+00 -1.594424419e+00 4.82 -1.555521223e+00 -1.555521223e+00 4.84 -1.517251349e+00 -1.517251349e+00 4.86 -1.480460107e+00 -1.480460107e+00 4.88 -1.445444706e+00 -1.445444706e+00 4.90 -1.411376598e+00 -1.411376598e+00 4.92 -1.377430974e+00 -1.377430974e+00 4.94 -1.343529316e+00 -1.343529316e+00 4.96 -1.309873205e+00 -1.309873205e+00 4.98 -1.276671573e+00 -1.276671573e+00 5.00 -1.244157073e+00 -1.244157073e+00 5.02 -1.213356240e+00 -1.213356240e+00 5.04 -1.185565625e+00 -1.185565625e+00 5.06 -1.160657391e+00 -1.160657391e+00 5.08 -1.138242339e+00 -1.138242339e+00 5.10 -1.117983350e+00 -1.117983350e+00 5.12 -1.099598204e+00 -1.099598204e+00 5.14 -1.082774776e+00 -1.082774776e+00 5.16 -1.066917393e+00 -1.066917393e+00 5.18 -1.051802264e+00 -1.051802264e+00 5.20 -1.037133745e+00 -1.037133745e+00 5.22 -1.022203942e+00 -1.022203942e+00 5.24 -1.006113340e+00 -1.006113340e+00 5.26 -9.878874135e-01 -9.878874135e-01 5.28 -9.670923904e-01 -9.670923904e-01 5.30 -9.443325057e-01 -9.443325057e-01 5.32 -9.206783945e-01 -9.206783945e-01 5.34 -8.976988040e-01 -8.976988040e-01 5.36 -8.774739248e-01 -8.774739248e-01 5.38 -8.610650078e-01 -8.610650078e-01 5.40 -8.440891240e-01 -8.440891240e-01 5.42 -8.261418376e-01 -8.261418376e-01 5.44 -8.074293033e-01 -8.074293033e-01 5.46 -7.882039460e-01 -7.882039460e-01 5.48 -7.687574262e-01 -7.687574262e-01 5.50 -7.494112342e-01 -7.494112342e-01 5.52 -7.305040100e-01 -7.305040100e-01 5.54 -7.123549168e-01 -7.123549168e-01 5.56 -6.950065710e-01 -6.950065710e-01 5.58 -6.782674634e-01 -6.782674634e-01 5.60 -6.618712486e-01 -6.618712486e-01 5.62 -6.454969240e-01 -6.454969240e-01 5.64 -6.287801856e-01 -6.287801856e-01 5.66 -6.113196044e-01 -6.113196044e-01 5.68 -5.928475025e-01 -5.928475025e-01 5.70 -5.738446888e-01 -5.738446888e-01 5.72 -5.550330031e-01 -5.550330031e-01 5.74 -5.371459941e-01 -5.371459941e-01 5.76 -5.209447140e-01 -5.209447140e-01 5.78 -5.072178983e-01 -5.072178983e-01 5.80 -4.967716931e-01 -4.967716931e-01 5.82 -4.898457916e-01 -4.898457916e-01 5.84 -4.855457383e-01 -4.855457383e-01 5.86 -4.828263316e-01 -4.828263316e-01 5.88 -4.806257480e-01 -4.806257480e-01 5.90 -4.778652874e-01 -4.778652874e-01 5.92 -4.734420663e-01 -4.734420663e-01 5.94 -4.662338624e-01 -4.662338624e-01 5.96 -4.553797763e-01 -4.553797763e-01 5.98 -4.401983649e-01 -4.401983649e-01 6.00 -4.198535191e-01 -4.198535191e-01