# 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 = MoNb3 # 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 2.046560903e+03 nan nan 0.98 1.800696289e+03 nan nan 1.00 1.585099571e+03 nan nan 1.02 1.395803363e+03 nan nan 1.04 1.229527777e+03 nan nan 1.06 1.083471552e+03 1.863408736e+03 nan 1.08 9.552558333e+02 1.656265302e+03 1.974877744e+03 1.10 8.425089579e+02 1.473075201e+03 1.759583152e+03 1.12 7.428950995e+02 1.310627465e+03 1.567965651e+03 1.14 6.550336630e+02 1.166164698e+03 1.397241182e+03 1.16 5.778866058e+02 1.037578945e+03 1.245176148e+03 1.18 5.098592151e+02 9.229892209e+02 1.110184083e+03 1.20 4.495682985e+02 8.208810744e+02 9.904768759e+02 1.22 3.964536972e+02 7.301554395e+02 8.847591095e+02 1.24 3.497803002e+02 6.495933985e+02 7.904044549e+02 1.26 3.085776798e+02 5.781012484e+02 7.061187113e+02 1.28 2.721106837e+02 5.146577807e+02 6.306841097e+02 1.30 2.398520760e+02 4.581520570e+02 5.632354371e+02 1.32 2.112830824e+02 4.078492833e+02 5.028961570e+02 1.34 1.860461957e+02 3.630755338e+02 4.490975472e+02 1.36 1.638159838e+02 3.231439777e+02 4.010499568e+02 1.38 1.441085673e+02 2.875502144e+02 3.580517752e+02 1.40 1.271371081e+02 2.558423768e+02 3.196053200e+02 1.42 1.117232740e+02 2.274957860e+02 2.852475013e+02 1.44 9.821561293e+01 2.021884240e+02 2.545425363e+02 1.46 8.628599416e+01 1.796346340e+02 2.270648793e+02 1.48 7.569420826e+01 1.596740084e+02 2.024806455e+02 1.50 6.632096743e+01 1.416962492e+02 1.804682396e+02 1.52 5.814066955e+01 1.256018161e+02 1.608123040e+02 1.54 5.099551257e+01 1.112613031e+02 1.432664670e+02 1.56 4.471443166e+01 9.853081671e+01 1.276090276e+02 1.58 3.918327257e+01 8.723731349e+01 1.136019297e+02 1.60 3.428816437e+01 7.716912639e+01 1.009950426e+02 1.62 2.999834822e+01 6.816051721e+01 8.966031584e+01 1.64 2.627081672e+01 6.011575780e+01 7.951856211e+01 1.66 2.304709243e+01 5.292743622e+01 7.050758301e+01 1.68 2.026134928e+01 4.649965843e+01 6.247396122e+01 1.70 1.780616064e+01 4.082833916e+01 5.524837893e+01 1.72 1.565233590e+01 3.617449951e+01 4.920233700e+01 1.74 1.358875926e+01 3.183533638e+01 4.338885908e+01 1.76 1.172876954e+01 2.812447749e+01 3.819687525e+01 1.78 1.007569409e+01 2.488141581e+01 3.360069723e+01 1.80 8.512471120e+00 2.201700479e+01 2.959418447e+01 1.82 7.204347334e+00 1.950923697e+01 2.608801918e+01 1.84 6.123778975e+00 1.734971933e+01 2.296198755e+01 1.86 5.197485515e+00 1.547539538e+01 2.014475253e+01 1.88 4.421174136e+00 1.380575850e+01 1.763742506e+01 1.90 3.761851523e+00 1.228837898e+01 1.544561980e+01 1.92 3.202910139e+00 1.089732765e+01 1.350844821e+01 1.94 2.726281849e+00 9.615229352e+00 1.177930632e+01 1.96 2.281812548e+00 8.438271441e+00 1.025746175e+01 1.98 1.844825217e+00 7.371192843e+00 8.962182286e+00 2.00 1.420581135e+00 6.427919207e+00 7.877871544e+00 2.02 1.018761022e+00 5.528840490e+00 6.863976488e+00 2.04 6.196988293e-01 4.773985155e+00 6.075200598e+00 2.06 2.355283832e-01 4.090540295e+00 5.402099294e+00 2.08 -1.530633350e-01 3.469057006e+00 4.825279456e+00 2.10 -8.928704249e-01 2.924920400e+00 4.363491592e+00 2.12 -1.637468920e+00 2.453412311e+00 3.995520607e+00 2.14 -2.303988983e+00 2.017809856e+00 3.678342334e+00 2.16 -2.897728541e+00 1.580688509e+00 3.354245743e+00 2.18 -3.410495947e+00 1.135084272e+00 2.992471375e+00 2.20 -3.856748258e+00 5.641579689e-01 2.588736442e+00 2.22 -4.266590545e+00 1.512535238e-03 2.151727018e+00 2.24 -4.644758176e+00 -5.074325420e-01 1.703638194e+00 2.26 -4.975569136e+00 -1.089925331e+00 1.262591628e+00 2.28 -5.262126736e+00 -1.637547355e+00 8.289780724e-01 2.30 -5.528144117e+00 -2.129052379e+00 2.792017245e-01 2.32 -5.775030721e+00 -2.572902963e+00 -6.872015578e-01 2.34 -5.993941050e+00 -2.980775825e+00 -1.425992297e+00 2.36 -6.210900687e+00 -3.363816558e+00 -1.999621286e+00 2.38 -6.413686575e+00 -3.722068618e+00 -2.489592861e+00 2.40 -6.594169984e+00 -4.054419836e+00 -2.927072667e+00 2.42 -6.760903799e+00 -4.366895614e+00 -3.327416181e+00 2.44 -6.896665256e+00 -4.661832860e+00 -3.697540278e+00 2.46 -7.004997231e+00 -4.935606295e+00 -4.040228561e+00 2.48 -7.102296931e+00 -5.185563273e+00 -4.357817905e+00 2.50 -7.194403900e+00 -5.417423035e+00 -4.650802064e+00 2.52 -7.277359961e+00 -5.639872574e+00 -4.915140412e+00 2.54 -7.340658267e+00 -5.868815435e+00 -5.147017940e+00 2.56 -7.375900034e+00 -6.107565859e+00 -5.348845002e+00 2.58 -7.400471530e+00 -6.320607385e+00 -5.519485338e+00 2.60 -7.393508599e+00 -6.521968020e+00 -5.665470468e+00 2.62 -7.371951007e+00 -6.700279906e+00 -5.810298002e+00 2.64 -7.338425599e+00 -6.854651248e+00 -5.952062359e+00 2.66 -7.279067993e+00 -6.994301477e+00 -6.084492954e+00 2.68 -7.203253498e+00 -7.116023813e+00 -6.208163925e+00 2.70 -7.141655440e+00 -7.220779443e+00 -6.323576196e+00 2.72 -7.110100370e+00 -7.308152754e+00 -6.443100998e+00 2.74 -7.083417319e+00 -7.375965644e+00 -6.590533492e+00 2.76 -7.057620630e+00 -7.424430800e+00 -6.710028749e+00 2.78 -7.023282046e+00 -7.456417125e+00 -6.775467939e+00 2.80 -6.975541944e+00 -7.475941927e+00 -6.848011459e+00 2.82 -6.916645863e+00 -7.485464646e+00 -6.906587725e+00 2.84 -6.850511012e+00 -7.486067961e+00 -6.962302354e+00 2.86 -6.781571886e+00 -7.477777131e+00 -6.977456247e+00 2.88 -6.711596160e+00 -7.459680041e+00 -6.988414293e+00 2.90 -6.642670933e+00 -7.430657961e+00 -6.996548975e+00 2.92 -6.577263742e+00 -7.392733974e+00 -7.005143626e+00 2.94 -6.512406136e+00 -7.346301603e+00 -7.016142896e+00 2.96 -6.444630072e+00 -7.291271937e+00 -7.024818028e+00 2.98 -6.370746196e+00 -7.229372379e+00 -7.028008758e+00 3.00 -6.289701801e+00 -7.164901047e+00 -7.024567403e+00 3.02 -6.199144479e+00 -7.101936101e+00 -7.013845951e+00 3.04 -6.097301627e+00 -7.043217364e+00 -6.994135572e+00 3.06 -5.989206206e+00 -6.984970375e+00 -6.965264317e+00 3.08 -5.881658638e+00 -6.920574129e+00 -6.930724363e+00 3.10 -5.780778617e+00 -6.846115703e+00 -6.895628183e+00 3.12 -5.685692446e+00 -6.752805138e+00 -6.854514856e+00 3.14 -5.586853113e+00 -6.641442670e+00 -6.802678815e+00 3.16 -5.476005042e+00 -6.520575016e+00 -6.743279063e+00 3.18 -5.343635733e+00 -6.397341950e+00 -6.679241895e+00 3.20 -5.187336957e+00 -6.282990361e+00 -6.613091697e+00 3.22 -5.007425731e+00 -6.190981839e+00 -6.547998121e+00 3.24 -4.810238654e+00 -6.132929810e+00 -6.488119496e+00 3.26 -4.618526687e+00 -6.089544577e+00 -6.437344684e+00 3.28 -4.443789906e+00 -6.044522818e+00 -6.395645423e+00 3.30 -4.291553686e+00 -5.993513352e+00 -6.361247134e+00 3.32 -4.167890364e+00 -5.933973200e+00 -6.332899750e+00 3.34 -4.065073125e+00 -5.864130223e+00 -6.309516792e+00 3.36 -3.971604135e+00 -5.782301493e+00 -6.291597160e+00 3.38 -3.878096675e+00 -5.686420303e+00 -6.275662799e+00 3.40 -3.782039526e+00 -5.574231299e+00 -6.249372310e+00 3.42 -3.685828829e+00 -5.446983881e+00 -6.203858205e+00 3.44 -3.593192149e+00 -5.309827449e+00 -6.134779750e+00 3.46 -3.493650663e+00 -5.167588460e+00 -6.044556137e+00 3.48 -3.379859231e+00 -5.022281063e+00 -5.936860812e+00 3.50 -3.258469914e+00 -4.879666448e+00 -5.814727224e+00 3.52 -3.126574038e+00 -4.750744797e+00 -5.683057703e+00 3.54 -2.987095783e+00 -4.640738354e+00 -5.550324283e+00 3.56 -2.851093372e+00 -4.549762787e+00 -5.425540060e+00 3.58 -2.731699175e+00 -4.475653236e+00 -5.323542078e+00 3.60 -2.636893654e+00 -4.413673671e+00 -5.235324356e+00 3.62 -2.561760390e+00 -4.358593792e+00 -5.152392825e+00 3.64 -2.506264352e+00 -4.305160368e+00 -5.077603929e+00 3.66 -2.469414191e+00 -4.251914433e+00 -5.013097966e+00 3.68 -2.448860647e+00 -4.198619437e+00 -4.957708469e+00 3.70 -2.441324285e+00 -4.143364815e+00 -4.907794001e+00 3.72 -2.442466932e+00 -4.084375880e+00 -4.859532894e+00 3.74 -2.447346739e+00 -4.022033721e+00 -4.809083966e+00 3.76 -2.451184926e+00 -3.958787303e+00 -4.752653991e+00 3.78 -2.451478192e+00 -3.897036922e+00 -4.686142251e+00 3.80 -2.446668959e+00 -3.839102022e+00 -4.605250895e+00 3.82 -2.435572316e+00 -3.774248524e+00 -4.507541042e+00 3.84 -2.417121659e+00 -3.697353359e+00 -4.390940163e+00 3.86 -2.390268238e+00 -3.608078722e+00 -4.253090621e+00 3.88 -2.354963889e+00 -3.505733477e+00 -4.094193114e+00 3.90 -2.312492068e+00 -3.389406493e+00 -3.917574558e+00 3.92 -2.262840998e+00 -3.258033132e+00 -3.724208587e+00 3.94 -2.205684520e+00 -3.111621631e+00 -3.511028089e+00 3.96 -2.142051719e+00 -2.953076575e+00 -3.284513215e+00 3.98 -2.074281596e+00 -2.787551668e+00 -3.049325225e+00 4.00 -2.003938868e+00 -2.624435099e+00 -2.806340959e+00 4.02 -1.934776737e+00 -2.473562361e+00 -2.574456719e+00 4.04 -1.871122185e+00 -2.336672610e+00 -2.375224095e+00 4.06 -1.815693989e+00 -2.213198122e+00 -2.210981571e+00 4.08 -1.768120129e+00 -2.105261366e+00 -2.078602368e+00 4.10 -1.726747787e+00 -2.014445566e+00 -1.978906946e+00 4.12 -1.691704222e+00 -1.940474912e+00 -1.914221998e+00 4.14 -1.662669255e+00 -1.881528458e+00 -1.881142325e+00 4.16 -1.638773752e+00 -1.835229365e+00 -1.870809437e+00 4.18 -1.618761923e+00 -1.799385045e+00 -1.872293799e+00 4.20 -1.600785489e+00 -1.771930773e+00 -1.874688020e+00 4.22 -1.582560176e+00 -1.753663914e+00 -1.873528831e+00 4.24 -1.562522550e+00 -1.744104773e+00 -1.869246895e+00 4.26 -1.540892761e+00 -1.741163999e+00 -1.862518964e+00 4.28 -1.518568762e+00 -1.742644339e+00 -1.854016820e+00 4.30 -1.496522935e+00 -1.746302470e+00 -1.844506045e+00 4.32 -1.476214579e+00 -1.749871015e+00 -1.835945744e+00 4.34 -1.459777703e+00 -1.751555970e+00 -1.830998563e+00 4.36 -1.449038857e+00 -1.751854544e+00 -1.832472441e+00 4.38 -1.443347436e+00 -1.751948166e+00 -1.843254701e+00 4.40 -1.441089315e+00 -1.753003939e+00 -1.860845214e+00 4.42 -1.440624104e+00 -1.756175167e+00 -1.878582532e+00 4.44 -1.440217247e+00 -1.762604836e+00 -1.896155842e+00 4.46 -1.438093051e+00 -1.772875925e+00 -1.913304197e+00 4.48 -1.432712934e+00 -1.785979881e+00 -1.929636545e+00 4.50 -1.424295862e+00 -1.800520783e+00 -1.944554455e+00 4.52 -1.413757620e+00 -1.815081495e+00 -1.957454075e+00 4.54 -1.401959027e+00 -1.828237521e+00 -1.967748015e+00 4.56 -1.389672233e+00 -1.838568487e+00 -1.974864066e+00 4.58 -1.377632973e+00 -1.845032124e+00 -1.978236801e+00 4.60 -1.366337769e+00 -1.847185076e+00 -1.977288832e+00 4.62 -1.355020972e+00 -1.844580109e+00 -1.971306088e+00 4.64 -1.342510278e+00 -1.836749642e+00 -1.959491997e+00 4.66 -1.328794247e+00 -1.823242756e+00 -1.941038628e+00 4.68 -1.314655431e+00 -1.803608057e+00 -1.915139752e+00 4.70 -1.301545506e+00 -1.777417475e+00 -1.881011084e+00 4.72 -1.291679861e+00 -1.744282537e+00 -1.837933620e+00 4.74 -1.288009816e+00 -1.704233180e+00 -1.785887143e+00 4.76 -1.291188094e+00 -1.659168164e+00 -1.727761588e+00 4.78 -1.298114711e+00 -1.611594340e+00 -1.667371014e+00 4.80 -1.305434832e+00 -1.563993173e+00 -1.608441495e+00 4.82 -1.310088227e+00 -1.518450159e+00 -1.554406492e+00 4.84 -1.309245548e+00 -1.476745127e+00 -1.508238816e+00 4.86 -1.300632200e+00 -1.440727370e+00 -1.472382786e+00 4.88 -1.284406783e+00 -1.411354284e+00 -1.447363761e+00 4.90 -1.260878399e+00 -1.387449034e+00 -1.430562162e+00 4.92 -1.230034913e+00 -1.367532714e+00 -1.419506008e+00 4.94 -1.191844610e+00 -1.350349824e+00 -1.412005534e+00 4.96 -1.146660315e+00 -1.334885374e+00 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