# 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 = Mo3Ta # 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 4.623280748e+02 nan nan 0.98 4.212999854e+02 nan nan 1.00 3.844475017e+02 nan nan 1.02 3.510616289e+02 nan nan 1.04 3.206620261e+02 nan nan 1.06 2.929552471e+02 4.362775172e+02 nan 1.08 2.679108920e+02 4.006598254e+02 4.591273735e+02 1.10 2.454530878e+02 3.684106632e+02 4.229232957e+02 1.12 2.251582456e+02 3.389865641e+02 3.895854459e+02 1.14 2.064910540e+02 3.122459036e+02 3.590174579e+02 1.16 1.894360829e+02 2.876801250e+02 3.305761324e+02 1.18 1.743121719e+02 2.651481155e+02 3.046406766e+02 1.20 1.605041918e+02 2.444144625e+02 2.810597822e+02 1.22 1.475347171e+02 2.253080814e+02 2.597114088e+02 1.24 1.356376927e+02 2.078502042e+02 2.403480517e+02 1.26 1.248368727e+02 1.920066572e+02 2.225315944e+02 1.28 1.150591783e+02 1.775783991e+02 2.055167500e+02 1.30 1.061813329e+02 1.644054402e+02 1.902259503e+02 1.32 9.794678120e+01 1.523846264e+02 1.763107647e+02 1.34 9.022109238e+01 1.413267058e+02 1.635794612e+02 1.36 8.331107160e+01 1.310193819e+02 1.519139144e+02 1.38 7.689498108e+01 1.214494992e+02 1.410626345e+02 1.40 7.100681273e+01 1.126699693e+02 1.309128277e+02 1.42 6.552366342e+01 1.045836443e+02 1.214804014e+02 1.44 6.047451195e+01 9.718097737e+01 1.127998599e+02 1.46 5.585586429e+01 9.025301842e+01 1.047369580e+02 1.48 5.145354661e+01 8.367332651e+01 9.732027189e+01 1.50 4.744881262e+01 7.759255039e+01 9.048477869e+01 1.52 4.367362860e+01 7.204242895e+01 8.407054628e+01 1.54 4.011644369e+01 6.690322765e+01 7.800385286e+01 1.56 3.683403156e+01 6.215252131e+01 7.230783306e+01 1.58 3.385297868e+01 5.766036311e+01 6.708631544e+01 1.60 3.110444464e+01 5.342177061e+01 6.235032113e+01 1.62 2.856097283e+01 4.938809623e+01 5.801859885e+01 1.64 2.618323669e+01 4.566931369e+01 5.405235363e+01 1.66 2.394218934e+01 4.228010972e+01 5.041190094e+01 1.68 2.187588443e+01 3.915858184e+01 4.694696683e+01 1.70 2.002153329e+01 3.627298806e+01 4.359197967e+01 1.72 1.834752243e+01 3.362022090e+01 4.050288954e+01 1.74 1.683853664e+01 3.119601101e+01 3.770885920e+01 1.76 1.544728416e+01 2.893360849e+01 3.511001638e+01 1.78 1.410713107e+01 2.677178368e+01 3.268658869e+01 1.80 1.279232182e+01 2.473938015e+01 3.046630309e+01 1.82 1.145598495e+01 2.280239760e+01 2.826863913e+01 1.84 1.021352720e+01 2.117171833e+01 2.628446746e+01 1.86 9.054746749e+00 1.965242516e+01 2.438939796e+01 1.88 7.966270643e+00 1.825623671e+01 2.261572140e+01 1.90 7.050246107e+00 1.696858547e+01 2.095592765e+01 1.92 6.177278444e+00 1.575419145e+01 1.936831200e+01 1.94 5.397618203e+00 1.457740889e+01 1.783717597e+01 1.96 4.641614583e+00 1.341535050e+01 1.639446774e+01 1.98 3.881725632e+00 1.227124770e+01 1.504869389e+01 2.00 3.157876394e+00 1.116091681e+01 1.378811992e+01 2.02 2.496986723e+00 1.009438640e+01 1.259492240e+01 2.04 1.881723508e+00 9.042885845e+00 1.140986749e+01 2.06 1.307583739e+00 8.018603905e+00 1.028107012e+01 2.08 6.236359595e-01 7.033281754e+00 9.225450237e+00 2.10 -3.831006058e-01 6.090300329e+00 8.233566235e+00 2.12 -1.236902589e+00 5.247013129e+00 7.399299847e+00 2.14 -1.994296249e+00 4.394792746e+00 6.599040971e+00 2.16 -2.664444786e+00 3.578287797e+00 5.905493211e+00 2.18 -3.225211388e+00 2.808575025e+00 5.266754442e+00 2.20 -3.690775569e+00 2.111281505e+00 4.631718381e+00 2.22 -4.111627743e+00 1.486839840e+00 3.987929290e+00 2.24 -4.499555560e+00 7.918282649e-01 3.351159270e+00 2.26 -4.854738626e+00 -9.075212109e-02 2.728033451e+00 2.28 -5.186172719e+00 -8.232688409e-01 2.124673082e+00 2.30 -5.481094192e+00 -1.477678152e+00 1.523326330e+00 2.32 -5.743084176e+00 -2.124187458e+00 7.632182616e-01 2.34 -5.977430751e+00 -2.740801035e+00 -3.357700048e-01 2.36 -6.185002004e+00 -3.314568240e+00 -1.185568066e+00 2.38 -6.376675333e+00 -3.819672398e+00 -1.955913018e+00 2.40 -6.557080430e+00 -4.248794592e+00 -2.642833975e+00 2.42 -6.727385315e+00 -4.624764761e+00 -3.236611567e+00 2.44 -6.871138806e+00 -4.959685921e+00 -3.734715188e+00 2.46 -6.983074916e+00 -5.250790556e+00 -4.157811075e+00 2.48 -7.065154709e+00 -5.507918969e+00 -4.527334947e+00 2.50 -7.121220648e+00 -5.742871061e+00 -4.854413749e+00 2.52 -7.155074149e+00 -5.958571950e+00 -5.138958338e+00 2.54 -7.163008326e+00 -6.153070413e+00 -5.378530337e+00 2.56 -7.142946198e+00 -6.322784513e+00 -5.580455090e+00 2.58 -7.103089795e+00 -6.469669968e+00 -5.754978941e+00 2.60 -7.052500934e+00 -6.605888920e+00 -5.911348426e+00 2.62 -6.996953981e+00 -6.737876863e+00 -6.053377517e+00 2.64 -6.940635418e+00 -6.869930434e+00 -6.181084024e+00 2.66 -6.876402661e+00 -6.994296209e+00 -6.294821496e+00 2.68 -6.794077437e+00 -7.094409769e+00 -6.397581253e+00 2.70 -6.705828580e+00 -7.159368322e+00 -6.489366451e+00 2.72 -6.611337159e+00 -7.198600221e+00 -6.602065648e+00 2.74 -6.492967748e+00 -7.219137004e+00 -6.726838258e+00 2.76 -6.367706472e+00 -7.226765785e+00 -6.831888202e+00 2.78 -6.251167029e+00 -7.221983547e+00 -6.904254828e+00 2.80 -6.131131320e+00 -7.201263772e+00 -6.964410089e+00 2.82 -6.006870501e+00 -7.164016052e+00 -7.010061357e+00 2.84 -5.882958518e+00 -7.113522875e+00 -7.038964503e+00 2.86 -5.759988366e+00 -7.056374501e+00 -7.053751428e+00 2.88 -5.632979448e+00 -6.991284321e+00 -7.056484489e+00 2.90 -5.495558118e+00 -6.912316010e+00 -7.048353490e+00 2.92 -5.347470269e+00 -6.819997764e+00 -7.030807047e+00 2.94 -5.195042948e+00 -6.724693496e+00 -7.004602794e+00 2.96 -5.047323686e+00 -6.636256451e+00 -6.959778333e+00 2.98 -4.912360017e+00 -6.558047398e+00 -6.893418010e+00 3.00 -4.791584903e+00 -6.481924259e+00 -6.813759963e+00 3.02 -4.680841427e+00 -6.394891756e+00 -6.722586825e+00 3.04 -4.574110860e+00 -6.283728977e+00 -6.616077048e+00 3.06 -4.463981503e+00 -6.147508172e+00 -6.495141324e+00 3.08 -4.349908951e+00 -6.000201932e+00 -6.373923452e+00 3.10 -4.232979984e+00 -5.863345568e+00 -6.273149928e+00 3.12 -4.099433813e+00 -5.737048034e+00 -6.182745249e+00 3.14 -3.947674737e+00 -5.602242687e+00 -6.082661089e+00 3.16 -3.795481985e+00 -5.448339131e+00 -5.975720168e+00 3.18 -3.658313424e+00 -5.261986785e+00 -5.865936573e+00 3.20 -3.538197699e+00 -5.055142023e+00 -5.758006255e+00 3.22 -3.421692284e+00 -4.868399328e+00 -5.656428488e+00 3.24 -3.289524390e+00 -4.758365936e+00 -5.565536185e+00 3.26 -3.130817725e+00 -4.685048759e+00 -5.489803238e+00 3.28 -2.967437323e+00 -4.603994869e+00 -5.432682104e+00 3.30 -2.834947881e+00 -4.511327895e+00 -5.388920382e+00 3.32 -2.761742002e+00 -4.407257526e+00 -5.346594009e+00 3.34 -2.696715195e+00 -4.295523941e+00 -5.293917001e+00 3.36 -2.617766147e+00 -4.181013038e+00 -5.220050884e+00 3.38 -2.530479506e+00 -4.066774056e+00 -5.123946784e+00 3.40 -2.447519032e+00 -3.953478174e+00 -5.011081702e+00 3.42 -2.369643775e+00 -3.842430800e+00 -4.889262809e+00 3.44 -2.303144138e+00 -3.735106484e+00 -4.765826196e+00 3.46 -2.239107197e+00 -3.634252844e+00 -4.634130712e+00 3.48 -2.170018858e+00 -3.542993339e+00 -4.478118046e+00 3.50 -2.098676916e+00 -3.458906230e+00 -4.277882942e+00 3.52 -2.026634509e+00 -3.376320919e+00 -4.027346781e+00 3.54 -1.954496484e+00 -3.290463007e+00 -3.765219954e+00 3.56 -1.883584950e+00 -3.198010025e+00 -3.549812394e+00 3.58 -1.815956281e+00 -3.101727806e+00 -3.420501721e+00 3.60 -1.750353681e+00 -3.006641581e+00 -3.338471058e+00 3.62 -1.685476708e+00 -2.915603331e+00 -3.260070866e+00 3.64 -1.622580509e+00 -2.832232139e+00 -3.188986129e+00 3.66 -1.562965041e+00 -2.756398627e+00 -3.127932725e+00 3.68 -1.507292498e+00 -2.680800703e+00 -3.075441583e+00 3.70 -1.455713504e+00 -2.596400551e+00 -3.027692529e+00 3.72 -1.407384160e+00 -2.493792611e+00 -2.980570446e+00 3.74 -1.361070449e+00 -2.373837591e+00 -2.930140748e+00 3.76 -1.315454977e+00 -2.254175451e+00 -2.873233365e+00 3.78 -1.269771927e+00 -2.154626697e+00 -2.807247883e+00 3.80 -1.224249339e+00 -2.094096920e+00 -2.729600231e+00 3.82 -1.180211013e+00 -2.044784923e+00 -2.640644135e+00 3.84 -1.139562776e+00 -1.991335287e+00 -2.541030005e+00 3.86 -1.104544127e+00 -1.935685871e+00 -2.432780534e+00 3.88 -1.077219568e+00 -1.879400291e+00 -2.321677963e+00 3.90 -1.058370866e+00 -1.823598424e+00 -2.213975035e+00 3.92 -1.048428709e+00 -1.769345834e+00 -2.114876768e+00 3.94 -1.047419069e+00 -1.717026833e+00 -2.026287653e+00 3.96 -1.054256594e+00 -1.665661114e+00 -1.946887024e+00 3.98 -1.067384166e+00 -1.614483505e+00 -1.875940863e+00 4.00 -1.084101246e+00 -1.563303913e+00 -1.813145087e+00 4.02 -1.101985859e+00 -1.512565607e+00 -1.758021449e+00 4.04 -1.118939349e+00 -1.462913794e+00 -1.707988553e+00 4.06 -1.132877126e+00 -1.415071699e+00 -1.659763928e+00 4.08 -1.142027692e+00 -1.370037235e+00 -1.611270217e+00 4.10 -1.145769023e+00 -1.328669676e+00 -1.561229564e+00 4.12 -1.144967306e+00 -1.291393043e+00 -1.509517679e+00 4.14 -1.140807905e+00 -1.258359197e+00 -1.458640175e+00 4.16 -1.134558864e+00 -1.229794597e+00 -1.410492536e+00 4.18 -1.127467668e+00 -1.206017401e+00 -1.366400816e+00 4.20 -1.120707526e+00 -1.187450842e+00 -1.327495010e+00 4.22 -1.114979989e+00 -1.174245707e+00 -1.293166030e+00 4.24 -1.110771636e+00 -1.165885125e+00 -1.261192115e+00 4.26 -1.108436942e+00 -1.161477907e+00 -1.229304254e+00 4.28 -1.108230528e+00 -1.160078110e+00 -1.195210998e+00 4.30 -1.110400259e+00 -1.160674597e+00 -1.156915793e+00 4.32 -1.114804799e+00 -1.162195510e+00 -1.117545940e+00 4.34 -1.120673533e+00 -1.163662473e+00 -1.084056363e+00 4.36 -1.126933493e+00 -1.164887238e+00 -1.063080510e+00 4.38 -1.131712873e+00 -1.165906247e+00 -1.061451241e+00 4.40 -1.132916026e+00 -1.166777838e+00 -1.075098895e+00 4.42 -1.128604568e+00 -1.167600212e+00 -1.089239326e+00 4.44 -1.117878369e+00 -1.168493113e+00 -1.102248988e+00 4.46 -1.100209760e+00 -1.169221928e+00 -1.112700404e+00 4.48 -1.075369240e+00 -1.168969034e+00 -1.119651130e+00 4.50 -1.044792270e+00 -1.167285053e+00 -1.122906811e+00 4.52 -1.010466415e+00 -1.163748158e+00 -1.122333377e+00 4.54 -9.746653937e-01 -1.157923734e+00 -1.117799199e+00 4.56 -9.400339401e-01 -1.149369115e+00 -1.109171582e+00 4.58 -9.092741896e-01 -1.137666291e+00 -1.096321514e+00 4.60 -8.848417085e-01 -1.122448787e+00 -1.079178514e+00 4.62 -8.678908638e-01 -1.103817376e+00 -1.058365913e+00 4.64 -8.587147745e-01 -1.082211134e+00 -1.035005723e+00 4.66 -8.549389766e-01 -1.058083677e+00 -1.010233038e+00 4.68 -8.532909130e-01 -1.031891357e+00 -9.851828392e-01 4.70 -8.504972033e-01 -1.004465369e+00 -9.609963435e-01 4.72 -8.433877653e-01 -9.770350322e-01 -9.388166072e-01 4.74 -8.294068714e-01 -9.507768835e-01 -9.196783597e-01 4.76 -8.080500431e-01 -9.264821043e-01 -9.040264283e-01 4.78 -7.812247524e-01 -9.048063148e-01 -8.920889900e-01 4.80 -7.509941294e-01 -8.864189289e-01 -8.840908133e-01 4.82 -7.194010963e-01 -8.720723769e-01 -8.802539761e-01 4.84 -6.884961391e-01 -8.625763934e-01 -8.807999287e-01 4.86 -6.599101457e-01 -8.587410239e-01 -8.859418592e-01 4.88 -6.324451232e-01 -8.609667512e-01 -8.952743939e-01 4.90 -6.039065915e-01 -8.688660819e-01 -9.072069036e-01 4.92 -5.720865716e-01 -8.817030382e-01 -9.200307080e-01 4.94 -5.347807773e-01 -8.971982351e-01 -9.320377828e-01 4.96 -4.899048949e-01 -9.125152192e-01 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