# 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 = Ta3Zr # 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 4.667051073e+02 nan nan 0.98 4.230155097e+02 nan nan 1.00 3.850486780e+02 nan nan 1.02 3.491345787e+02 nan nan 1.04 3.152875118e+02 nan nan 1.06 2.833090458e+02 4.375020756e+02 nan 1.08 2.535023256e+02 3.878592298e+02 4.591736929e+02 1.10 2.267932207e+02 3.435875818e+02 4.002204938e+02 1.12 2.028479028e+02 3.051675449e+02 3.508742587e+02 1.14 1.814050118e+02 2.725183918e+02 3.100592698e+02 1.16 1.623049629e+02 2.458845283e+02 2.770004600e+02 1.18 1.460832566e+02 2.247678890e+02 2.521083141e+02 1.20 1.323304595e+02 2.079433644e+02 2.345306386e+02 1.22 1.203526404e+02 1.932937153e+02 2.206947887e+02 1.24 1.090304643e+02 1.792635904e+02 2.073474164e+02 1.26 9.856830891e+01 1.657312005e+02 1.939559157e+02 1.28 8.908666401e+01 1.527403886e+02 1.806677173e+02 1.30 8.035295928e+01 1.406198950e+02 1.678169518e+02 1.32 7.233842564e+01 1.291360726e+02 1.554012505e+02 1.34 6.516353427e+01 1.184096253e+02 1.434829980e+02 1.36 5.865221459e+01 1.082729729e+02 1.320810123e+02 1.38 5.284454185e+01 9.876188214e+01 1.210291404e+02 1.40 4.766861488e+01 8.981891890e+01 1.106587342e+02 1.42 4.293571898e+01 8.130645564e+01 1.009400522e+02 1.44 3.855773408e+01 7.342269598e+01 9.178654812e+01 1.46 3.467622198e+01 6.616484592e+01 8.321631726e+01 1.48 3.142345330e+01 5.963898773e+01 7.541748832e+01 1.50 2.853101556e+01 5.372266140e+01 6.841583677e+01 1.52 2.583887322e+01 4.831179274e+01 6.190081503e+01 1.54 2.334019889e+01 4.349527517e+01 5.586839815e+01 1.56 2.113184071e+01 3.920010721e+01 5.027298379e+01 1.58 1.927470106e+01 3.531442669e+01 4.524855655e+01 1.60 1.764651077e+01 3.182723144e+01 4.073629595e+01 1.62 1.619455867e+01 2.874383878e+01 3.662933084e+01 1.64 1.481257936e+01 2.599293426e+01 3.288840976e+01 1.66 1.346376030e+01 2.354551459e+01 2.950051690e+01 1.68 1.220392317e+01 2.139730464e+01 2.647780227e+01 1.70 1.107209704e+01 1.952900898e+01 2.383759780e+01 1.72 1.007735849e+01 1.786816594e+01 2.148062167e+01 1.74 9.259670730e+00 1.633825233e+01 1.934895187e+01 1.76 8.514551526e+00 1.494388926e+01 1.752041350e+01 1.78 7.807916534e+00 1.373367725e+01 1.598264806e+01 1.80 7.100819007e+00 1.266537831e+01 1.464923310e+01 1.82 6.454521256e+00 1.165395041e+01 1.344876165e+01 1.84 5.877928502e+00 1.070516706e+01 1.239151855e+01 1.86 5.305723628e+00 9.842930928e+00 1.149149813e+01 1.88 4.757051809e+00 9.093396398e+00 1.071050043e+01 1.90 4.214328139e+00 8.423363463e+00 1.004096625e+01 1.92 3.743344794e+00 7.823632504e+00 9.460811676e+00 1.94 3.283668716e+00 7.290073597e+00 8.945121857e+00 1.96 2.812982513e+00 6.802307664e+00 8.466871709e+00 1.98 2.329879358e+00 6.320047948e+00 7.988703645e+00 2.00 1.853047569e+00 5.785994818e+00 7.492151991e+00 2.02 1.390746657e+00 5.278579331e+00 6.995609847e+00 2.04 9.704406107e-01 4.819172991e+00 6.560241992e+00 2.06 5.829849212e-01 4.410614593e+00 6.115050084e+00 2.08 2.171918279e-01 4.016983565e+00 5.624643766e+00 2.10 -1.574617168e-01 3.640053658e+00 5.162292257e+00 2.12 -5.610833903e-01 3.228654461e+00 4.747617647e+00 2.14 -9.850816702e-01 2.781499814e+00 4.354168464e+00 2.16 -1.381079876e+00 2.319760521e+00 3.969922547e+00 2.18 -1.998903740e+00 1.870965712e+00 3.595991228e+00 2.20 -2.565420134e+00 1.442233009e+00 3.206767947e+00 2.22 -3.115259381e+00 1.034245292e+00 2.798505637e+00 2.24 -3.652661627e+00 6.396512020e-01 2.366737748e+00 2.26 -4.098791046e+00 2.544538563e-01 1.912545931e+00 2.28 -4.462753433e+00 -1.253991873e-01 1.472280395e+00 2.30 -4.789916428e+00 -5.036180225e-01 1.070170713e+00 2.32 -5.117067836e+00 -9.073739881e-01 6.492821893e-01 2.34 -5.409019943e+00 -1.292406611e+00 2.678710593e-01 2.36 -5.678886119e+00 -1.825978869e+00 -1.549192602e-01 2.38 -5.928594932e+00 -2.349841814e+00 -5.914224139e-01 2.40 -6.155738027e+00 -2.846882873e+00 -1.190728280e+00 2.42 -6.357945686e+00 -3.301714817e+00 -1.844202825e+00 2.44 -6.536160016e+00 -3.740250895e+00 -2.475086547e+00 2.46 -6.695725113e+00 -4.139751574e+00 -3.019602351e+00 2.48 -6.842607450e+00 -4.508279814e+00 -3.482984679e+00 2.50 -6.990225245e+00 -4.844818191e+00 -3.876245196e+00 2.52 -7.119092798e+00 -5.149275744e+00 -4.213099808e+00 2.54 -7.224533221e+00 -5.422579067e+00 -4.506963010e+00 2.56 -7.314057058e+00 -5.667359543e+00 -4.773528103e+00 2.58 -7.390654697e+00 -5.887176726e+00 -5.020113594e+00 2.60 -7.457841174e+00 -6.087038856e+00 -5.249440688e+00 2.62 -7.513770683e+00 -6.270736094e+00 -5.462817844e+00 2.64 -7.546168590e+00 -6.440037683e+00 -5.665833855e+00 2.66 -7.547774349e+00 -6.595954360e+00 -5.864498387e+00 2.68 -7.527080843e+00 -6.742077960e+00 -6.058318216e+00 2.70 -7.497636580e+00 -6.886401471e+00 -6.236885014e+00 2.72 -7.466557149e+00 -7.013621783e+00 -6.388473393e+00 2.74 -7.425741326e+00 -7.128195154e+00 -6.504169092e+00 2.76 -7.385436759e+00 -7.225065613e+00 -6.604166607e+00 2.78 -7.348823652e+00 -7.301383269e+00 -6.704480365e+00 2.80 -7.307330254e+00 -7.363112101e+00 -6.802041537e+00 2.82 -7.256147187e+00 -7.418499563e+00 -6.893819895e+00 2.84 -7.198760647e+00 -7.467665630e+00 -6.981479731e+00 2.86 -7.139846419e+00 -7.507531323e+00 -7.078834384e+00 2.88 -7.080756882e+00 -7.536465081e+00 -7.171939063e+00 2.90 -7.022352299e+00 -7.554305875e+00 -7.247208607e+00 2.92 -6.964397811e+00 -7.559922050e+00 -7.308898358e+00 2.94 -6.906112964e+00 -7.555611603e+00 -7.358384577e+00 2.96 -6.847360157e+00 -7.544697704e+00 -7.398005653e+00 2.98 -6.788468325e+00 -7.529629651e+00 -7.422738835e+00 3.00 -6.730215582e+00 -7.509473229e+00 -7.434287379e+00 3.02 -6.673028483e+00 -7.481643379e+00 -7.433844114e+00 3.04 -6.616277637e+00 -7.443294325e+00 -7.416456523e+00 3.06 -6.560168091e+00 -7.395319086e+00 -7.379268667e+00 3.08 -6.505566101e+00 -7.344438661e+00 -7.336308995e+00 3.10 -6.453364277e+00 -7.299691123e+00 -7.296801594e+00 3.12 -6.401876949e+00 -7.262735006e+00 -7.256935144e+00 3.14 -6.349397267e+00 -7.224449719e+00 -7.219215430e+00 3.16 -6.296737632e+00 -7.177206155e+00 -7.185765270e+00 3.18 -6.243698760e+00 -7.110537758e+00 -7.154032844e+00 3.20 -6.189136457e+00 -7.028918504e+00 -7.121085202e+00 3.22 -6.131195256e+00 -6.948667962e+00 -7.085309895e+00 3.24 -6.066690514e+00 -6.885805715e+00 -7.046950307e+00 3.26 -5.992311492e+00 -6.833369741e+00 -7.006661717e+00 3.28 -5.908181942e+00 -6.781222672e+00 -6.964874699e+00 3.30 -5.819949498e+00 -6.731165037e+00 -6.922051576e+00 3.32 -5.735146598e+00 -6.682921764e+00 -6.878636628e+00 3.34 -5.645546636e+00 -6.634999315e+00 -6.835111801e+00 3.36 -5.546508514e+00 -6.585632077e+00 -6.791780781e+00 3.38 -5.438124098e+00 -6.533061754e+00 -6.748971798e+00 3.40 -5.326384751e+00 -6.475493801e+00 -6.707578527e+00 3.42 -5.220992500e+00 -6.412045007e+00 -6.668810213e+00 3.44 -5.130512945e+00 -6.344291944e+00 -6.633685166e+00 3.46 -5.053297624e+00 -6.274040604e+00 -6.599049078e+00 3.48 -4.981193914e+00 -6.202987143e+00 -6.559040097e+00 3.50 -4.908478881e+00 -6.133188979e+00 -6.507876008e+00 3.52 -4.824971652e+00 -6.066270246e+00 -6.449643913e+00 3.54 -4.724969202e+00 -6.002014822e+00 -6.386541057e+00 3.56 -4.613874646e+00 -5.938208356e+00 -6.323064364e+00 3.58 -4.503487773e+00 -5.872343404e+00 -6.275138658e+00 3.60 -4.396141134e+00 -5.804464255e+00 -6.238751816e+00 3.62 -4.283886166e+00 -5.736260153e+00 -6.201895748e+00 3.64 -4.156639670e+00 -5.668554947e+00 -6.164793353e+00 3.66 -4.003755110e+00 -5.600423560e+00 -6.126214483e+00 3.68 -3.834961689e+00 -5.530721442e+00 -6.085185160e+00 3.70 -3.672121251e+00 -5.458642682e+00 -6.042024509e+00 3.72 -3.518719002e+00 -5.383624810e+00 -5.997107442e+00 3.74 -3.375028496e+00 -5.307429824e+00 -5.951086562e+00 3.76 -3.255937659e+00 -5.235740738e+00 -5.905601089e+00 3.78 -3.168961145e+00 -5.175383491e+00 -5.862522260e+00 3.80 -3.105088842e+00 -5.132935596e+00 -5.823553924e+00 3.82 -3.050865026e+00 -5.098870268e+00 -5.787901628e+00 3.84 -2.998336999e+00 -5.065196825e+00 -5.752882133e+00 3.86 -2.943443472e+00 -5.028510719e+00 -5.715353917e+00 3.88 -2.885214302e+00 -4.985366335e+00 -5.671926656e+00 3.90 -2.824064754e+00 -4.932302114e+00 -5.618795029e+00 3.92 -2.760645182e+00 -4.865499973e+00 -5.551252189e+00 3.94 -2.696015814e+00 -4.781765457e+00 -5.463727561e+00 3.96 -2.631794714e+00 -4.681276889e+00 -5.352708370e+00 3.98 -2.568674096e+00 -4.564843328e+00 -5.218436138e+00 4.00 -2.506002183e+00 -4.433075425e+00 -5.066985209e+00 4.02 -2.442022886e+00 -4.286972292e+00 -4.908176755e+00 4.04 -2.374490142e+00 -4.129743195e+00 -4.742909042e+00 4.06 -2.300731912e+00 -3.966388329e+00 -4.565301050e+00 4.08 -2.217340990e+00 -3.797172695e+00 -4.371295535e+00 4.10 -2.121948664e+00 -3.613842044e+00 -4.160360409e+00 4.12 -2.017937569e+00 -3.412224502e+00 -3.946291434e+00 4.14 -1.911842824e+00 -3.204302369e+00 -3.737059728e+00 4.16 -1.810980725e+00 -3.008550502e+00 -3.521872873e+00 4.18 -1.721772262e+00 -2.839675295e+00 -3.290826765e+00 4.20 -1.646920661e+00 -2.701265721e+00 -3.065144702e+00 4.22 -1.583218395e+00 -2.588058060e+00 -2.868875157e+00 4.24 -1.527093211e+00 -2.490539885e+00 -2.711438523e+00 4.26 -1.475659057e+00 -2.402911793e+00 -2.585666953e+00 4.28 -1.426438537e+00 -2.321874615e+00 -2.478458537e+00 4.30 -1.377076924e+00 -2.244714923e+00 -2.380885531e+00 4.32 -1.326252620e+00 -2.169258936e+00 -2.289311043e+00 4.34 -1.274387041e+00 -2.094141278e+00 -2.204533845e+00 4.36 -1.222394375e+00 -2.020252129e+00 -2.130012567e+00 4.38 -1.171089833e+00 -1.949291871e+00 -2.070083198e+00 4.40 -1.121156313e+00 -1.882910671e+00 -2.023108719e+00 4.42 -1.073186190e+00 -1.822601071e+00 -1.982162828e+00 4.44 -1.027186702e+00 -1.769638472e+00 -1.946258433e+00 4.46 -9.829012997e-01 -1.724392588e+00 -1.914424776e+00 4.48 -9.402704062e-01 -1.685497457e+00 -1.885966925e+00 4.50 -9.001057839e-01 -1.651433324e+00 -1.860498823e+00 4.52 -8.634518552e-01 -1.620652062e+00 -1.837619248e+00 4.54 -8.307914593e-01 -1.591722051e+00 -1.816924665e+00 4.56 -8.018903158e-01 -1.563320690e+00 -1.798010673e+00 4.58 -7.765237761e-01 -1.534694570e+00 -1.780480026e+00 4.60 -7.544045718e-01 -1.505959411e+00 -1.763946154e+00 4.62 -7.346077108e-01 -1.477340316e+00 -1.748119472e+00 4.64 -7.160835648e-01 -1.449108887e+00 -1.732801751e+00 4.66 -6.986879280e-01 -1.421548148e+00 -1.717797894e+00 4.68 -6.825821399e-01 -1.394975017e+00 -1.702907222e+00 4.70 -6.679308266e-01 -1.369533341e+00 -1.687929039e+00 4.72 -6.549285092e-01 -1.345124510e+00 -1.672663459e+00 4.74 -6.439889546e-01 -1.321715363e+00 -1.656920258e+00 4.76 -6.351085558e-01 -1.299427104e+00 -1.640630692e+00 4.78 -6.275205377e-01 -1.278403576e+00 -1.623800896e+00 4.80 -6.203788064e-01 -1.258727371e+00 -1.606446178e+00 4.82 -6.127928995e-01 -1.240203441e+00 -1.588584691e+00 4.84 -6.038526223e-01 -1.222518583e+00 -1.570237346e+00 4.86 -5.925541091e-01 -1.205330063e+00 -1.551423269e+00 4.88 -5.783487595e-01 -1.188096563e+00 -1.531913488e+00 4.90 -5.607801082e-01 -1.169826709e+00 -1.510860874e+00 4.92 -5.393976270e-01 -1.149511615e+00 -1.487311922e+00 4.94 -5.137689545e-01 -1.126519198e+00 -1.460294876e+00 4.96 -4.834718166e-01 -1.100312619e+00 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