# 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 = TaW3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 2.857323091e+02 nan nan 0.98 2.631104585e+02 nan nan 1.00 2.425428618e+02 nan nan 1.02 2.243674991e+02 nan nan 1.04 2.076677987e+02 nan nan 1.06 1.919347880e+02 2.690822440e+02 nan 1.08 1.769938347e+02 2.498260522e+02 2.858003668e+02 1.10 1.632553028e+02 2.322306805e+02 2.645908752e+02 1.12 1.506602251e+02 2.154005127e+02 2.452440931e+02 1.14 1.391764273e+02 1.999215628e+02 2.273817099e+02 1.16 1.283459615e+02 1.858484940e+02 2.108086854e+02 1.18 1.183854571e+02 1.731308043e+02 1.952897551e+02 1.20 1.094651973e+02 1.613553189e+02 1.809374043e+02 1.22 1.018537171e+02 1.504382775e+02 1.679421381e+02 1.24 9.500767682e+01 1.402069546e+02 1.564100701e+02 1.26 8.852471473e+01 1.305357150e+02 1.455836401e+02 1.28 8.232307768e+01 1.215227934e+02 1.354499307e+02 1.30 7.673630774e+01 1.134300193e+02 1.267567019e+02 1.32 7.168351095e+01 1.061067029e+02 1.192038913e+02 1.34 6.729031797e+01 9.934556072e+01 1.128831154e+02 1.36 6.288033101e+01 9.294564459e+01 1.072688754e+02 1.38 5.865377015e+01 8.716412775e+01 1.016830686e+02 1.40 5.463551293e+01 8.195791861e+01 9.666477502e+01 1.42 5.094226804e+01 7.708654460e+01 9.211964735e+01 1.44 4.746846928e+01 7.248362559e+01 8.709260893e+01 1.46 4.434299031e+01 6.818203200e+01 8.193100112e+01 1.48 4.157389945e+01 6.420621836e+01 7.671275876e+01 1.50 3.895241339e+01 6.031805796e+01 7.182492247e+01 1.52 3.645301876e+01 5.648014822e+01 6.774728417e+01 1.54 3.402270247e+01 5.276962023e+01 6.382879317e+01 1.56 3.152251114e+01 4.924211854e+01 5.980131334e+01 1.58 2.922207750e+01 4.593719261e+01 5.524713320e+01 1.60 2.721157240e+01 4.282956958e+01 5.127975986e+01 1.62 2.533616855e+01 3.987670924e+01 4.803497568e+01 1.64 2.342998421e+01 3.706990907e+01 4.498683059e+01 1.66 2.137400451e+01 3.447430454e+01 4.224334954e+01 1.68 1.921754381e+01 3.210896739e+01 3.981534820e+01 1.70 1.715352300e+01 2.988570566e+01 3.790423219e+01 1.72 1.537820003e+01 2.770068496e+01 3.590624740e+01 1.74 1.379335878e+01 2.545487876e+01 3.358967327e+01 1.76 1.232201258e+01 2.335382303e+01 3.140687107e+01 1.78 1.093668174e+01 2.141795785e+01 2.936562928e+01 1.80 9.633254582e+00 1.964139423e+01 2.742856339e+01 1.82 8.403237404e+00 1.800840959e+01 2.555601662e+01 1.84 7.222008797e+00 1.651686130e+01 2.362768608e+01 1.86 6.158123045e+00 1.516138379e+01 2.169390156e+01 1.88 5.223790555e+00 1.394547619e+01 1.997012707e+01 1.90 4.379744071e+00 1.290163972e+01 1.832773609e+01 1.92 3.603111986e+00 1.196235215e+01 1.674542439e+01 1.94 2.900233363e+00 1.113901767e+01 1.521656660e+01 1.96 2.350604865e+00 1.036311600e+01 1.372942473e+01 1.98 1.843429444e+00 9.583168887e+00 1.231228117e+01 2.00 1.415014955e+00 8.766688167e+00 1.101529047e+01 2.02 1.025751489e+00 7.934018858e+00 9.868007314e+00 2.04 6.585525511e-01 7.108770404e+00 9.024162787e+00 2.06 2.967628784e-01 6.295403639e+00 8.215355664e+00 2.08 -6.783253634e-02 5.489465867e+00 7.264384255e+00 2.10 -4.349829321e-01 4.691397858e+00 6.358175949e+00 2.12 -8.171143761e-01 3.898839343e+00 5.542837128e+00 2.14 -1.488110993e+00 3.111671812e+00 4.829860592e+00 2.16 -2.229603405e+00 2.338643331e+00 4.204139020e+00 2.18 -3.041141742e+00 1.628112775e+00 3.672613289e+00 2.20 -3.793126775e+00 8.905623186e-01 3.029230789e+00 2.22 -4.461475052e+00 2.276218867e-01 2.378632141e+00 2.24 -5.035989787e+00 -3.317878641e-01 1.768042195e+00 2.26 -5.590021466e+00 -7.897362427e-01 1.209136682e+00 2.28 -6.142569082e+00 -1.164534558e+00 7.098741032e-01 2.30 -6.619387605e+00 -1.493429914e+00 2.685288727e-01 2.32 -7.021302937e+00 -1.812302651e+00 -1.254280330e-01 2.34 -7.385127502e+00 -2.131853778e+00 -4.859820935e-01 2.36 -7.706271164e+00 -2.787768355e+00 -8.479235340e-01 2.38 -7.982994791e+00 -3.744508940e+00 -1.486634594e+00 2.40 -8.181432571e+00 -4.577779107e+00 -2.467709429e+00 2.42 -8.346453558e+00 -5.214680623e+00 -3.291153796e+00 2.44 -8.467501502e+00 -5.714389832e+00 -4.009606561e+00 2.46 -8.546645831e+00 -6.136330272e+00 -4.635581079e+00 2.48 -8.586327375e+00 -6.516340729e+00 -5.170000055e+00 2.50 -8.596393891e+00 -6.864714196e+00 -5.615248281e+00 2.52 -8.590236494e+00 -7.181348107e+00 -5.986776833e+00 2.54 -8.587490823e+00 -7.455461182e+00 -6.305608908e+00 2.56 -8.586381999e+00 -7.701253546e+00 -6.580621514e+00 2.58 -8.574275224e+00 -7.905690661e+00 -6.805531226e+00 2.60 -8.544643172e+00 -8.086611161e+00 -6.983701825e+00 2.62 -8.491592461e+00 -8.249773722e+00 -7.124277999e+00 2.64 -8.428295003e+00 -8.381392141e+00 -7.249565282e+00 2.66 -8.365912833e+00 -8.484241577e+00 -7.384170523e+00 2.68 -8.300471120e+00 -8.564354049e+00 -7.543123978e+00 2.70 -8.236587385e+00 -8.636119980e+00 -7.717671794e+00 2.72 -8.169549232e+00 -8.690250748e+00 -7.887300207e+00 2.74 -8.100244849e+00 -8.729238438e+00 -8.018540297e+00 2.76 -8.022648961e+00 -8.750670738e+00 -8.085161785e+00 2.78 -7.940833927e+00 -8.757221623e+00 -8.141180708e+00 2.80 -7.854454955e+00 -8.748803261e+00 -8.194918498e+00 2.82 -7.764913724e+00 -8.724334192e+00 -8.235941920e+00 2.84 -7.674183700e+00 -8.686397210e+00 -8.282254167e+00 2.86 -7.584348177e+00 -8.637642721e+00 -8.317068371e+00 2.88 -7.496584835e+00 -8.580728710e+00 -8.347243516e+00 2.90 -7.410849203e+00 -8.518068822e+00 -8.356144540e+00 2.92 -7.327401648e+00 -8.453679498e+00 -8.347994134e+00 2.94 -7.245781030e+00 -8.382274235e+00 -8.309953244e+00 2.96 -7.165488372e+00 -8.292569076e+00 -8.270487146e+00 2.98 -7.085319744e+00 -8.184671563e+00 -8.224137798e+00 3.00 -7.002671520e+00 -8.062773682e+00 -8.146600037e+00 3.02 -6.913555881e+00 -7.948547526e+00 -8.072248944e+00 3.04 -6.814297553e+00 -7.855469706e+00 -7.988116583e+00 3.06 -6.691769013e+00 -7.783133795e+00 -7.921483054e+00 3.08 -6.530622666e+00 -7.716402915e+00 -7.867249165e+00 3.10 -6.377308077e+00 -7.647168418e+00 -7.810442856e+00 3.12 -6.228855023e+00 -7.564881044e+00 -7.745477289e+00 3.14 -6.092466889e+00 -7.472256543e+00 -7.671393217e+00 3.16 -5.942660664e+00 -7.375629110e+00 -7.591931409e+00 3.18 -5.821461629e+00 -7.275415687e+00 -7.514605981e+00 3.20 -5.654235835e+00 -7.178243661e+00 -7.444142441e+00 3.22 -5.356811554e+00 -7.081689875e+00 -7.380198610e+00 3.24 -5.083770146e+00 -6.983923078e+00 -7.318814124e+00 3.26 -4.871010053e+00 -6.884146466e+00 -7.254792883e+00 3.28 -4.711224569e+00 -6.764216178e+00 -7.178798841e+00 3.30 -4.589055087e+00 -6.638009018e+00 -7.092699066e+00 3.32 -4.487119084e+00 -6.512695981e+00 -7.007769974e+00 3.34 -4.397331522e+00 -6.384187907e+00 -6.931268170e+00 3.36 -4.318460045e+00 -6.253708452e+00 -6.884644954e+00 3.38 -4.254027755e+00 -6.143856439e+00 -6.874414953e+00 3.40 -4.203889339e+00 -6.051646270e+00 -6.864524471e+00 3.42 -4.163085954e+00 -5.966464624e+00 -6.846739563e+00 3.44 -4.128670405e+00 -5.894009755e+00 -6.813018874e+00 3.46 -4.080386466e+00 -5.811134256e+00 -6.761315586e+00 3.48 -4.000823272e+00 -5.731954109e+00 -6.704065468e+00 3.50 -3.890678895e+00 -5.646679541e+00 -6.653667798e+00 3.52 -3.792324893e+00 -5.570092157e+00 -6.626967759e+00 3.54 -3.647544718e+00 -5.516926428e+00 -6.603884787e+00 3.56 -3.549619795e+00 -5.494292167e+00 -6.566709915e+00 3.58 -3.463029085e+00 -5.499188148e+00 -6.526686851e+00 3.60 -3.398544784e+00 -5.517626696e+00 -6.493993561e+00 3.62 -3.342759830e+00 -5.528216674e+00 -6.440501952e+00 3.64 -3.279339770e+00 -5.518392137e+00 -6.374299435e+00 3.66 -3.208441624e+00 -5.487436906e+00 -6.301705945e+00 3.68 -3.137936705e+00 -5.436162503e+00 -6.222548626e+00 3.70 -3.073332613e+00 -5.372929992e+00 -6.138375172e+00 3.72 -3.017888778e+00 -5.310094486e+00 -6.051578347e+00 3.74 -2.974788607e+00 -5.245085439e+00 -5.955187804e+00 3.76 -2.946858375e+00 -5.173464637e+00 -5.831653122e+00 3.78 -2.930828685e+00 -5.093058591e+00 -5.703700376e+00 3.80 -2.919877989e+00 -4.997259029e+00 -5.566499727e+00 3.82 -2.910112025e+00 -4.872320431e+00 -5.415690556e+00 3.84 -2.898717923e+00 -4.683606695e+00 -5.248106572e+00 3.86 -2.882297942e+00 -4.443642194e+00 -5.100506588e+00 3.88 -2.859236623e+00 -4.196018700e+00 -4.919970962e+00 3.90 -2.832495292e+00 -3.935003635e+00 -4.580484139e+00 3.92 -2.806352204e+00 -3.650068434e+00 -4.205646800e+00 3.94 -2.784510196e+00 -3.413659161e+00 -3.855880588e+00 3.96 -2.767522716e+00 -3.212918944e+00 -3.500930638e+00 3.98 -2.755125670e+00 -3.040228590e+00 -3.205497916e+00 4.00 -2.745279286e+00 -2.900452325e+00 -2.933275742e+00 4.02 -2.737154616e+00 -2.788557245e+00 -2.684666833e+00 4.04 -2.731146845e+00 -2.695298594e+00 -2.462585936e+00 4.06 -2.727576522e+00 -2.611805617e+00 -2.256814417e+00 4.08 -2.727233177e+00 -2.532009790e+00 -2.064458157e+00 4.10 -2.731524595e+00 -2.452919825e+00 -1.895230708e+00 4.12 -2.741205732e+00 -2.374186758e+00 -1.758848082e+00 4.14 -2.753758041e+00 -2.298657570e+00 -1.653423646e+00 4.16 -2.765020210e+00 -2.230038651e+00 -1.572319477e+00 4.18 -2.771326452e+00 -2.172355515e+00 -1.507265286e+00 4.20 -2.770340729e+00 -2.129724062e+00 -1.448802181e+00 4.22 -2.761248060e+00 -2.104746678e+00 -1.390837454e+00 4.24 -2.743969576e+00 -2.096950314e+00 -1.337703289e+00 4.26 -2.720568140e+00 -2.104174784e+00 -1.296312259e+00 4.28 -2.694392749e+00 -2.124007477e+00 -1.275539309e+00 4.30 -2.668927542e+00 -2.153849561e+00 -1.285054627e+00 4.32 -2.646594521e+00 -2.190965509e+00 -1.327541812e+00 4.34 -2.627479026e+00 -2.232525676e+00 -1.397444437e+00 4.36 -2.610877313e+00 -2.276136606e+00 -1.486434777e+00 4.38 -2.594048794e+00 -2.319666743e+00 -1.585704189e+00 4.40 -2.573133263e+00 -2.361033640e+00 -1.687185151e+00 4.42 -2.544462350e+00 -2.398217502e+00 -1.785512347e+00 4.44 -2.506805453e+00 -2.429268249e+00 -1.876423906e+00 4.46 -2.460199743e+00 -2.452224919e+00 -1.955824009e+00 4.48 -2.405298755e+00 -2.466631502e+00 -2.022445402e+00 4.50 -2.345533424e+00 -2.475213680e+00 -2.080188191e+00 4.52 -2.285708487e+00 -2.481090035e+00 -2.133490213e+00 4.54 -2.229107044e+00 -2.487399112e+00 -2.186702570e+00 4.56 -2.175610785e+00 -2.497303674e+00 -2.244061417e+00 4.58 -2.124568715e+00 -2.513642433e+00 -2.309607104e+00 4.60 -2.074912383e+00 -2.538277205e+00 -2.386809000e+00 4.62 -2.022834251e+00 -2.569762165e+00 -2.474036461e+00 4.64 -1.963496190e+00 -2.603880100e+00 -2.565301750e+00 4.66 -1.899207502e+00 -2.636470909e+00 -2.654821070e+00 4.68 -1.836132932e+00 -2.663591203e+00 -2.737862436e+00 4.70 -1.780922698e+00 -2.682232222e+00 -2.810515527e+00 4.72 -1.740496477e+00 -2.690454695e+00 -2.868918659e+00 4.74 -1.722659671e+00 -2.686900659e+00 -2.909779548e+00 4.76 -1.728483864e+00 -2.673612721e+00 -2.934403369e+00 4.78 -1.746663307e+00 -2.654143888e+00 -2.946073173e+00 4.80 -1.764991975e+00 -2.631954423e+00 -2.948011454e+00 4.82 -1.771692313e+00 -2.608802939e+00 -2.943417842e+00 4.84 -1.755475847e+00 -2.585110296e+00 -2.935496805e+00 4.86 -1.707606742e+00 -2.561245528e+00 -2.927453509e+00 4.88 -1.633152106e+00 -2.536837623e+00 -2.921497233e+00 4.90 -1.542130720e+00 -2.509382401e+00 -2.916933997e+00 4.92 -1.441750449e+00 -2.476349314e+00 -2.912484852e+00 4.94 -1.341062638e+00 -2.438793704e+00 -2.906868133e+00 4.96 -1.259605179e+00 -2.399636233e+00 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