# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Wu-Y-Yan-G-Yu-P-et-al--Hf-Nb-Zr-Ti-Ta # implementation = 2026--Wu-Y--Hf-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 2026-06-16 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 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 3.718999621e+02 3.718999621e+02 1.28 3.463507975e+02 3.463507975e+02 1.30 3.226178047e+02 3.226178047e+02 1.32 3.005579967e+02 3.005579967e+02 1.34 2.800397811e+02 2.800397811e+02 1.36 2.609413917e+02 2.609413917e+02 1.38 2.431506230e+02 2.431506230e+02 1.40 2.265661598e+02 2.265661598e+02 1.42 2.110964199e+02 2.110964199e+02 1.44 1.966567620e+02 1.966567620e+02 1.46 1.831691193e+02 1.831691193e+02 1.48 1.705631063e+02 1.705631063e+02 1.50 1.587757491e+02 1.587757491e+02 1.52 1.477488393e+02 1.477488393e+02 1.54 1.374269516e+02 1.374269516e+02 1.56 1.277582805e+02 1.277582805e+02 1.58 1.186969187e+02 1.186969187e+02 1.60 1.102033470e+02 1.102033470e+02 1.62 1.022431623e+02 1.022431623e+02 1.64 9.478491525e+01 9.478491525e+01 1.66 8.779880375e+01 8.779880375e+01 1.68 8.125630599e+01 8.125630599e+01 1.70 7.513027243e+01 7.513027243e+01 1.72 6.939489422e+01 6.939489422e+01 1.74 6.402546701e+01 6.402546701e+01 1.76 5.900711613e+01 5.900711613e+01 1.78 5.432595887e+01 5.432595887e+01 1.80 4.996054737e+01 4.996054737e+01 1.82 4.588767615e+01 4.588767615e+01 1.84 4.208643695e+01 4.208643695e+01 1.86 3.853841099e+01 3.853841099e+01 1.88 3.522755288e+01 3.522755288e+01 1.90 3.213973263e+01 3.213973263e+01 1.92 2.926209533e+01 2.926209533e+01 1.94 2.658256457e+01 2.658256457e+01 1.96 2.408935294e+01 2.408935294e+01 1.98 2.177069104e+01 2.177069104e+01 2.00 1.961471915e+01 1.961471915e+01 2.02 1.760961561e+01 1.760961561e+01 2.04 1.574386633e+01 1.574386633e+01 2.06 1.400662991e+01 1.400662991e+01 2.08 1.238800897e+01 1.238800897e+01 2.10 1.087918782e+01 1.087918782e+01 2.12 9.472421955e+00 9.472421955e+00 2.14 8.160863505e+00 8.160863505e+00 2.16 6.938511044e+00 6.938511044e+00 2.18 5.799969236e+00 5.799969236e+00 2.20 4.740319603e+00 4.740319603e+00 2.22 3.755006140e+00 3.755006140e+00 2.24 2.839771705e+00 2.839771705e+00 2.26 1.990584093e+00 1.990584093e+00 2.28 1.203554818e+00 1.203554818e+00 2.30 4.748491890e-01 4.748491890e-01 2.32 -1.994403480e-01 -1.994403480e-01 2.34 -8.232930502e-01 -8.232930502e-01 2.36 -1.400650204e+00 -1.400650204e+00 2.38 -1.935295478e+00 -1.935295478e+00 2.40 -2.430664647e+00 -2.430664647e+00 2.42 -2.889835092e+00 -2.889835092e+00 2.44 -3.315513106e+00 -3.315513106e+00 2.46 -3.710062317e+00 -3.710062317e+00 2.48 -4.075544914e+00 -4.075544914e+00 2.50 -4.413775425e+00 -4.413775425e+00 2.52 -4.726384517e+00 -4.726384517e+00 2.54 -5.014882789e+00 -5.014882789e+00 2.56 -5.280705756e+00 -5.280705756e+00 2.58 -5.525217357e+00 -5.525217357e+00 2.60 -5.749758041e+00 -5.749758041e+00 2.62 -5.955537972e+00 -5.955537972e+00 2.64 -6.143684664e+00 -6.143684664e+00 2.66 -6.315209872e+00 -6.315209872e+00 2.68 -6.471003470e+00 -6.471003470e+00 2.70 -6.611844215e+00 -6.611844215e+00 2.72 -6.738427291e+00 -6.738427291e+00 2.74 -6.851378761e+00 -6.851378761e+00 2.76 -6.951351678e+00 -6.951351678e+00 2.78 -7.038943416e+00 -7.038943416e+00 2.80 -7.114815182e+00 -7.114815182e+00 2.82 -7.179324570e+00 -7.179324570e+00 2.84 -7.231723168e+00 -7.231723168e+00 2.86 -7.272736445e+00 -7.272736445e+00 2.88 -7.303330574e+00 -7.303330574e+00 2.90 -7.324408170e+00 -7.324408170e+00 2.92 -7.336820115e+00 -7.336820115e+00 2.94 -7.341303012e+00 -7.341303012e+00 2.96 -7.338470225e+00 -7.338470225e+00 2.98 -7.328857349e+00 -7.328857349e+00 3.00 -7.312832773e+00 -7.312832773e+00 3.02 -7.290488438e+00 -7.290488438e+00 3.04 -7.261860998e+00 -7.261860998e+00 3.06 -7.226881200e+00 -7.226881200e+00 3.08 -7.185457711e+00 -7.185457711e+00 3.10 -7.137415363e+00 -7.137415363e+00 3.12 -7.082614345e+00 -7.082614345e+00 3.14 -7.020923984e+00 -7.020923984e+00 3.16 -6.952233522e+00 -6.952233522e+00 3.18 -6.876467004e+00 -6.876467004e+00 3.20 -6.793602475e+00 -6.793602475e+00 3.22 -6.703693095e+00 -6.703693095e+00 3.24 -6.606888959e+00 -6.606888959e+00 3.26 -6.503454154e+00 -6.503454154e+00 3.28 -6.393776114e+00 -6.393776114e+00 3.30 -6.278362473e+00 -6.278362473e+00 3.32 -6.157826485e+00 -6.157826485e+00 3.34 -6.032856131e+00 -6.032856131e+00 3.36 -5.904222389e+00 -5.904222389e+00 3.38 -5.772705091e+00 -5.772705091e+00 3.40 -5.639111457e+00 -5.639111457e+00 3.42 -5.504245097e+00 -5.504245097e+00 3.44 -5.368874058e+00 -5.368874058e+00 3.46 -5.233688134e+00 -5.233688134e+00 3.48 -5.099248455e+00 -5.099248455e+00 3.50 -4.965945342e+00 -4.965945342e+00 3.52 -4.833975557e+00 -4.833975557e+00 3.54 -4.703347462e+00 -4.703347462e+00 3.56 -4.573910126e+00 -4.573910126e+00 3.58 -4.445397631e+00 -4.445397631e+00 3.60 -4.317478053e+00 -4.317478053e+00 3.62 -4.189799136e+00 -4.189799136e+00 3.64 -4.062027617e+00 -4.062027617e+00 3.66 -3.933880665e+00 -3.933880665e+00 3.68 -3.805150683e+00 -3.805150683e+00 3.70 -3.675724276e+00 -3.675724276e+00 3.72 -3.545596918e+00 -3.545596918e+00 3.74 -3.414881603e+00 -3.414881603e+00 3.76 -3.283812319e+00 -3.283812319e+00 3.78 -3.152741116e+00 -3.152741116e+00 3.80 -3.022127991e+00 -3.022127991e+00 3.82 -2.892522852e+00 -2.892522852e+00 3.84 -2.764541214e+00 -2.764541214e+00 3.86 -2.638816149e+00 -2.638816149e+00 3.88 -2.516044575e+00 -2.516044575e+00 3.90 -2.396832509e+00 -2.396832509e+00 3.92 -2.281755500e+00 -2.281755500e+00 3.94 -2.171315113e+00 -2.171315113e+00 3.96 -2.065926575e+00 -2.065926575e+00 3.98 -1.965912844e+00 -1.965912844e+00 4.00 -1.871504201e+00 -1.871504201e+00 4.02 -1.782846411e+00 -1.782846411e+00 4.04 -1.699923187e+00 -1.699923187e+00 4.06 -1.622829648e+00 -1.622829648e+00 4.08 -1.551376690e+00 -1.551376690e+00 4.10 -1.485366258e+00 -1.485366258e+00 4.12 -1.424529772e+00 -1.424529772e+00 4.14 -1.368541871e+00 -1.368541871e+00 4.16 -1.317037592e+00 -1.317037592e+00 4.18 -1.269630721e+00 -1.269630721e+00 4.20 -1.225930844e+00 -1.225930844e+00 4.22 -1.185557488e+00 -1.185557488e+00 4.24 -1.148150737e+00 -1.148150737e+00 4.26 -1.113376271e+00 -1.113376271e+00 4.28 -1.080930071e+00 -1.080930071e+00 4.30 -1.050546065e+00 -1.050546065e+00 4.32 -1.021987390e+00 -1.021987390e+00 4.34 -9.950452164e-01 -9.950452164e-01 4.36 -9.695368892e-01 -9.695368892e-01 4.38 -9.453036099e-01 -9.453036099e-01 4.40 -9.222078782e-01 -9.222078782e-01 4.42 -9.001308390e-01 -9.001308390e-01 4.44 -8.789698928e-01 -8.789698928e-01 4.46 -8.586365570e-01 -8.586365570e-01 4.48 -8.390544558e-01 -8.390544558e-01 4.50 -8.201575950e-01 -8.201575950e-01 4.52 -8.018889086e-01 -8.018889086e-01 4.54 -7.841989556e-01 -7.841989556e-01 4.56 -7.670447893e-01 -7.670447893e-01 4.58 -7.503890242e-01 -7.503890242e-01 4.60 -7.341990348e-01 -7.341990348e-01 4.62 -7.184462391e-01 -7.184462391e-01 4.64 -7.031055125e-01 -7.031055125e-01 4.66 -6.881546965e-01 -6.881546965e-01 4.68 -6.735741578e-01 -6.735741578e-01 4.70 -6.593464357e-01 -6.593464357e-01 4.72 -6.454244589e-01 -6.454244589e-01 4.74 -6.318629863e-01 -6.318629863e-01 4.76 -6.186108172e-01 -6.186108172e-01 4.78 -6.056566620e-01 -6.056566620e-01 4.80 -5.929901872e-01 -5.929901872e-01 4.82 -5.806018778e-01 -5.806018778e-01 4.84 -5.684829242e-01 -5.684829242e-01 4.86 -5.566251268e-01 -5.566251268e-01 4.88 -5.450208072e-01 -5.450208072e-01 4.90 -5.336627320e-01 -5.336627320e-01 4.92 -5.225440478e-01 -5.225440478e-01 4.94 -5.116582221e-01 -5.116582221e-01 4.96 -5.009989875e-01 -5.009989875e-01 4.98 -4.905602942e-01 -4.905602942e-01 5.00 -4.803362640e-01 -4.803362640e-01 5.02 -4.703211464e-01 -4.703211464e-01 5.04 -4.605092762e-01 -4.605092762e-01 5.06 -4.508950333e-01 -4.508950333e-01 5.08 -4.414727998e-01 -4.414727998e-01 5.10 -4.322369181e-01 -4.322369181e-01 5.12 -4.231816457e-01 -4.231816457e-01 5.14 -4.143011113e-01 -4.143011113e-01 5.16 -4.055892634e-01 -4.055892634e-01 5.18 -3.970398219e-01 -3.970398219e-01 5.20 -3.886462226e-01 -3.886462226e-01 5.22 -3.804015636e-01 -3.804015636e-01 5.24 -3.722985461e-01 -3.722985461e-01 5.26 -3.643294222e-01 -3.643294222e-01 5.28 -3.564859379e-01 -3.564859379e-01 5.30 -3.487592908e-01 -3.487592908e-01 5.32 -3.411400923e-01 -3.411400923e-01 5.34 -3.336183558e-01 -3.336183558e-01 5.36 -3.261835051e-01 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