# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Tirumala-A-S-Shattock-O-Mason-D-R-et-al--W-H-He # implementation = 2026--Tirumala-A-S--W-H-He--LAMMPS--ipr1 # composition = He3W # 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 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 2.738696484e+02 nan nan 0.82 2.433335636e+02 nan nan 0.84 2.164429601e+02 nan nan 0.86 1.927274926e+02 nan nan 0.88 1.717681406e+02 nan nan 0.90 1.531967275e+02 2.360302369e+02 2.773597443e+02 0.92 1.367355447e+02 2.121086908e+02 2.495545898e+02 0.94 1.221959946e+02 1.907432300e+02 2.248818684e+02 0.96 1.093891866e+02 1.716474515e+02 2.029198950e+02 0.98 9.807358840e+01 1.545566213e+02 1.833124737e+02 1.00 8.803425065e+01 1.392579658e+02 1.658035071e+02 1.02 7.908607406e+01 1.255368387e+02 1.501286418e+02 1.04 7.106791528e+01 1.131985047e+02 1.360556515e+02 1.06 6.385643097e+01 1.021046366e+02 1.233705436e+02 1.08 5.737095787e+01 9.213597381e+01 1.119230545e+02 1.10 5.153822429e+01 8.318851318e+01 1.015791837e+02 1.12 4.630619316e+01 7.519212776e+01 9.220981166e+01 1.14 4.162302601e+01 6.805872047e+01 8.371131785e+01 1.16 3.742379565e+01 6.168086613e+01 7.599197554e+01 1.18 3.365166732e+01 5.595664375e+01 6.896510620e+01 1.20 3.026436698e+01 5.080172999e+01 6.256441931e+01 1.22 2.721935240e+01 4.614945921e+01 5.673863730e+01 1.24 2.447237341e+01 4.194544706e+01 5.142684935e+01 1.26 2.199141618e+01 3.813037766e+01 4.657717777e+01 1.28 1.975641547e+01 3.464699963e+01 4.216139882e+01 1.30 1.775381651e+01 3.145006839e+01 3.816773627e+01 1.32 1.596501618e+01 2.851030447e+01 3.457564031e+01 1.34 1.437434785e+01 2.582139771e+01 3.135226322e+01 1.36 1.297063368e+01 2.340933061e+01 2.846553360e+01 1.38 1.174437514e+01 2.130908176e+01 2.588185426e+01 1.40 1.067683416e+01 1.947705375e+01 2.356848001e+01 1.42 9.739074543e+00 1.783606849e+01 2.149609178e+01 1.44 8.904163033e+00 1.634526896e+01 1.963599333e+01 1.46 8.152090451e+00 1.498101531e+01 1.796320803e+01 1.48 7.468045199e+00 1.372676516e+01 1.645549618e+01 1.50 6.840785038e+00 1.257073249e+01 1.509276249e+01 1.52 6.261973724e+00 1.150501186e+01 1.385831331e+01 1.54 5.726582671e+00 1.052452869e+01 1.274079838e+01 1.56 5.244951795e+00 9.627096881e+00 1.173717287e+01 1.58 4.821111210e+00 8.807867912e+00 1.083998961e+01 1.60 4.441682267e+00 8.060117671e+00 1.003377958e+01 1.62 4.092860318e+00 7.380704236e+00 9.304012424e+00 1.64 3.766236834e+00 6.766385021e+00 8.637287301e+00 1.66 3.461077325e+00 6.210088867e+00 8.021798558e+00 1.68 3.179268768e+00 5.701884339e+00 7.448007193e+00 1.70 2.914789140e+00 5.241478786e+00 6.909526162e+00 1.72 2.663222940e+00 4.826790537e+00 6.412651154e+00 1.74 2.423369996e+00 4.450967317e+00 5.961329943e+00 1.76 2.196863248e+00 4.108528533e+00 5.548614070e+00 1.78 1.987478818e+00 3.798727365e+00 5.165478573e+00 1.80 1.800710185e+00 3.523966686e+00 4.802162969e+00 1.82 1.639082029e+00 3.285408054e+00 4.454200399e+00 1.84 1.501648085e+00 3.074012427e+00 4.122958798e+00 1.86 1.386800192e+00 2.876669475e+00 3.808877710e+00 1.88 1.292681425e+00 2.686189987e+00 3.508793652e+00 1.90 1.217464817e+00 2.502530329e+00 3.221036709e+00 1.92 1.159780191e+00 2.328093817e+00 2.945293918e+00 1.94 1.119280367e+00 2.162193243e+00 2.682179373e+00 1.96 1.097724619e+00 2.004635330e+00 2.433275427e+00 1.98 1.102806266e+00 1.855896225e+00 2.201437266e+00 2.00 1.161872410e+00 1.716787781e+00 1.989864876e+00 2.02 1.557420098e+00 1.588339491e+00 1.800793782e+00 2.04 1.644809109e+00 1.471839397e+00 1.634751034e+00 2.06 1.666182481e+00 1.368849867e+00 1.490178413e+00 2.08 1.665646586e+00 1.281534555e+00 1.363576240e+00 2.10 1.654900129e+00 1.213045100e+00 1.250412683e+00 2.12 1.639285831e+00 1.168046173e+00 1.147258572e+00 2.14 1.621695150e+00 1.153538582e+00 1.051829735e+00 2.16 1.603499041e+00 1.181116366e+00 9.628554826e-01 2.18 1.585440380e+00 1.281498560e+00 8.801595359e-01 2.20 1.567873011e+00 1.750005801e+00 8.049889072e-01 2.22 1.550836167e+00 1.894962211e+00 7.385582591e-01 2.24 1.534130770e+00 1.972600511e+00 6.815561543e-01 2.26 1.517583775e+00 2.022540691e+00 6.357620567e-01 2.28 1.500993057e+00 2.053504106e+00 6.040496740e-01 2.30 1.484083213e+00 2.068831720e+00 5.905838967e-01 2.32 1.466546322e+00 2.070528854e+00 6.021330218e-01 2.34 1.448052832e+00 2.060339967e+00 6.545009107e-01 2.36 1.428109135e+00 2.039594092e+00 9.412579007e-01 2.38 1.406166569e+00 2.009591747e+00 1.091935489e+00 2.40 1.381733893e+00 1.971957852e+00 1.162744055e+00 2.42 1.354391777e+00 1.928699161e+00 1.216906505e+00 2.44 1.323811088e+00 1.882129088e+00 1.262869093e+00 2.46 1.289756573e+00 1.833565341e+00 1.302792230e+00 2.48 1.252101052e+00 1.783407932e+00 1.336961765e+00 2.50 1.210829988e+00 1.732028358e+00 1.365026115e+00 2.52 1.166044038e+00 1.679812764e+00 1.386471797e+00 2.54 1.117958321e+00 1.627163910e+00 1.400836840e+00 2.56 1.066895042e+00 1.574375510e+00 1.407807337e+00 2.58 1.013281722e+00 1.521538377e+00 1.407284755e+00 2.60 9.576428319e-01 1.468707535e+00 1.399412150e+00 2.62 9.001512202e-01 1.415916052e+00 1.384602706e+00 2.64 8.409138916e-01 1.363173237e+00 1.363551300e+00 2.66 7.800960679e-01 1.310463737e+00 1.337239447e+00 2.68 7.179426173e-01 1.257743970e+00 1.306934627e+00 2.70 6.547604817e-01 1.204941085e+00 1.274052666e+00 2.72 5.905164579e-01 1.151946444e+00 1.239171028e+00 2.74 5.247774316e-01 1.098650845e+00 1.202458989e+00 2.76 4.567951252e-01 1.045172617e+00 1.164114540e+00 2.78 3.851903085e-01 9.917314157e-01 1.124381187e+00 2.80 3.071122018e-01 9.385499600e-01 1.083558962e+00 2.82 2.150345730e-01 8.858384904e-01 1.041947600e+00 2.84 3.475945609e-02 8.337956141e-01 9.996324353e-01 2.86 -1.772092926e-01 7.825948263e-01 9.566331228e-01 2.88 -2.566848001e-01 7.320988704e-01 9.129668259e-01 2.90 -3.124294527e-01 6.818728551e-01 8.686479876e-01 2.92 -3.549069387e-01 6.313359529e-01 8.236803108e-01 2.94 -3.878996258e-01 5.797168298e-01 7.780569666e-01 2.96 -4.133977715e-01 5.259378468e-01 7.317513363e-01 2.98 -4.326679340e-01 4.683346538e-01 6.847133254e-01 3.00 -4.466284852e-01 4.038714756e-01 6.368540971e-01 3.02 -4.560172823e-01 3.250599898e-01 5.880278753e-01 3.04 -4.614658008e-01 1.638107691e-01 5.380078886e-01 3.06 -4.635386527e-01 -3.679947909e-02 4.864343385e-01 3.08 -4.627540653e-01 -1.095907473e-01 4.327265308e-01 3.10 -4.595978532e-01 -1.615902260e-01 3.759056531e-01 3.12 -4.545518996e-01 -2.030033324e-01 3.141698959e-01 3.14 -4.480784524e-01 -2.375145646e-01 2.436214027e-01 3.16 -4.405966350e-01 -2.669786948e-01 1.559489084e-01 3.18 -4.324819607e-01 -2.924780912e-01 -8.395495313e-02 3.20 -4.240637354e-01 -3.146992485e-01 -1.951614852e-01 3.22 -4.156271841e-01 -3.341088745e-01 -2.593854838e-01 3.24 -4.074121407e-01 -3.510383657e-01 -3.081984844e-01 3.26 -3.996169444e-01 -3.657360599e-01 -3.471017828e-01 3.28 -3.923990337e-01 -3.784002644e-01 -3.784468606e-01 3.30 -3.858796577e-01 -3.891957971e-01 -4.035154875e-01 3.32 -3.801440362e-01 -3.982677204e-01 -4.232327150e-01 3.34 -3.752468046e-01 -4.057499768e-01 -4.383484342e-01 3.36 -3.712116948e-01 -4.117689440e-01 -4.494535184e-01 3.38 -3.680356845e-01 -4.164441540e-01 -4.570455334e-01 3.40 -3.656899826e-01 -4.198904702e-01 -4.615649785e-01 3.42 -3.641249765e-01 -4.222159856e-01 -4.634104035e-01 3.44 -3.632686703e-01 -4.235232049e-01 -4.629521946e-01 3.46 -3.630314570e-01 -4.239088290e-01 -4.605387425e-01 3.48 -3.633086284e-01 -4.234723386e-01 -4.565141399e-01 3.50 -3.639802991e-01 -4.223166179e-01 -4.512183076e-01 3.52 -3.649165420e-01 -4.205315626e-01 -4.449628603e-01 3.54 -3.659787049e-01 -4.181950980e-01 -4.380341175e-01 3.56 -3.670199601e-01 -4.153742378e-01 -4.306888174e-01 3.58 -3.678932829e-01 -4.121255324e-01 -4.231534742e-01 3.60 -3.684502335e-01 -4.084974300e-01 -4.156264195e-01 3.62 -3.685440897e-01 -4.045356255e-01 -4.082784001e-01 3.64 -3.680376279e-01 -4.002816193e-01 -4.012515228e-01 3.66 -3.668016457e-01 -3.957813522e-01 -3.946639535e-01 3.68 -3.647215394e-01 -3.910814671e-01 -3.886077829e-01 3.70 -3.617011302e-01 -3.862359156e-01 -3.831538467e-01 3.72 -3.576615797e-01 -3.813021167e-01 -3.783516151e-01 3.74 -3.525488437e-01 -3.763421549e-01 -3.742296451e-01 3.76 -3.463324688e-01 -3.714183061e-01 -3.707985826e-01 3.78 -3.390072812e-01 -3.665932983e-01 -3.680525029e-01 3.80 -3.305913427e-01 -3.619243192e-01 -3.659697204e-01 3.82 -3.211284461e-01 -3.574601196e-01 -3.645127494e-01 3.84 -3.106794709e-01 -3.532396799e-01 -3.636329918e-01 3.86 -2.993259652e-01 -3.492873973e-01 -3.632685872e-01 3.88 -2.871611130e-01 -3.456141442e-01 -3.633474408e-01 3.90 -2.742879495e-01 -3.422151531e-01 -3.637881056e-01 3.92 -2.608159382e-01 -3.390705918e-01 -3.645009809e-01 3.94 -2.468520033e-01 -3.361479673e-01 -3.653906036e-01 3.96 -2.325008246e-01 -3.334018673e-01 -3.663559052e-01 3.98 -2.178750754e-01 -3.307766308e-01 -3.672913333e-01 4.00 -2.030452323e-01 -3.282113181e-01 -3.680915832e-01 4.02 -1.880262471e-01 -3.256395871e-01 -3.686497735e-01 4.04 -1.726854836e-01 -3.229936615e-01 -3.688612413e-01 4.06 -1.585729119e-01 -3.202049301e-01 -3.686249719e-01 4.08 -1.465917128e-01 -3.172065272e-01 -3.678464767e-01 4.10 -1.328694992e-01 -3.139321185e-01 -3.664380443e-01 4.12 -1.148820386e-01 -3.103181891e-01 -3.643220543e-01 4.14 -9.332145982e-02 -3.063036414e-01 -3.614337580e-01 4.16 -7.163300103e-02 -3.018303048e-01 -3.577214431e-01 4.18 -5.209093591e-02 -2.968407067e-01 -3.531464448e-01 4.20 -3.575491430e-02 -2.912791313e-01 -3.476866202e-01 4.22 -2.293969508e-02 -2.851005505e-01 -3.413380196e-01 4.24 -1.348358123e-02 -2.783021197e-01 -3.341079545e-01 4.26 -7.014362532e-03 -2.709045914e-01 -3.260240027e-01 4.28 -3.029096109e-03 -2.629370399e-01 -3.171238748e-01 4.30 -9.619950350e-04 -2.544348709e-01 -3.074587191e-01 4.32 -2.117617823e-04 -2.454429590e-01 -2.970894818e-01 4.34 -1.085109256e-04 -2.360111233e-01 -2.860876182e-01 4.36 -9.918155698e-05 -2.261900340e-01 -2.745257384e-01 4.38 -9.018702107e-05 -2.160420303e-01 -2.624844348e-01 4.40 -8.154822892e-05 -2.056002936e-01 -2.500377244e-01 4.42 -7.328859986e-05 -1.949645625e-01 -2.372674879e-01 4.44 -6.542582865e-05 -1.839073443e-01 -2.242488266e-01 4.46 -5.797921319e-05 -1.726878075e-01 -2.110405904e-01 4.48 -5.096733133e-05 -1.620371596e-01 -1.977266385e-01 4.50 -4.440221519e-05 -1.526756253e-01 -1.841213105e-01 4.52 -3.829843059e-05 -1.436871184e-01 -1.704773478e-01 4.54 -3.266435521e-05 -1.331243887e-01 -1.579976397e-01 4.56 -2.750884472e-05 -1.200527906e-01 -1.473057404e-01 4.58 -2.283327343e-05 -1.044420312e-01 -1.354136461e-01 4.60 -1.863964287e-05 -8.769367468e-02 -1.202629853e-01 4.62 -1.492307102e-05 -7.126719503e-02 -1.017082612e-01 4.64 -1.167669679e-05 -5.608455617e-02 -8.200236076e-02 4.66 -8.889328862e-06 -4.267193448e-02 -6.328542948e-02 4.68 -6.545184422e-06 -3.126886479e-02 -4.673637698e-02 4.70 -4.621878950e-06 -2.191944337e-02 -3.288478602e-02 4.72 -3.092012207e-06 -1.454626532e-02 -2.185237610e-02 4.74 -1.925535865e-06 -8.984381447e-03 -1.349802400e-02 4.76 -1.085504425e-06 -5.017834625e-03 -7.535442588e-03 4.78 -5.262660100e-07 -2.411301243e-03 -3.619265668e-03 4.80 -1.980393663e-07 -9.031172996e-04 -1.355025642e-03 4.82 -4.472256108e-08 -1.997528563e-04 -2.996469706e-04 4.84 -1.407430575e-09 -9.090833803e-06 -1.363628764e-05 4.86 5.749565456e-14 5.749565456e-14 5.749565456e-14 4.88 5.749565456e-14 5.749565456e-14 5.749565456e-14 4.90 5.749565456e-14 5.749565456e-14 5.749565456e-14 4.92 5.749565456e-14 5.749565456e-14 5.749565456e-14 4.94 5.749565456e-14 5.749565456e-14 5.749565456e-14 4.96 5.749565456e-14 5.749565456e-14 5.749565456e-14 4.98 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.00 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.02 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.04 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.06 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.08 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.10 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.12 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.14 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.16 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.18 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.20 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.22 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.24 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.26 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.28 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.30 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.32 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.34 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.36 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.38 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.40 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.42 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.44 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.46 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.48 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.50 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.52 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.54 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.56 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.58 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.60 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.62 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.64 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.66 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.68 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.70 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.72 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.74 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.76 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.78 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.80 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.82 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.84 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.86 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.88 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.90 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.92 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.94 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.96 5.749565456e-14 5.749565456e-14 5.749565456e-14 5.98 5.749565456e-14 5.749565456e-14 5.749565456e-14 6.00 5.749565456e-14 5.749565456e-14 5.749565456e-14