# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Oh-Y-Sung-S-Jang-J-i-et-al--W-H # implementation = 2024--Oh-Y--W-H--LAMMPS--ipr1 # composition = H3W # 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 2026-08-31 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 2.983314528e+02 nan nan 0.84 2.663454740e+02 nan nan 0.86 2.375495556e+02 nan nan 0.88 2.116399391e+02 3.318633151e+02 nan 0.90 1.883418801e+02 2.992747446e+02 nan 0.92 1.674059360e+02 2.696576263e+02 2.976153189e+02 0.94 1.486053300e+02 2.427611633e+02 2.699529698e+02 0.96 1.317338977e+02 2.183527217e+02 2.446765897e+02 0.98 1.166043351e+02 1.962170351e+02 2.215949514e+02 1.00 1.030466163e+02 1.761554297e+02 2.005299665e+02 1.02 9.090652894e+01 1.579849839e+02 1.813163051e+02 1.04 8.004430850e+01 1.415376187e+02 1.638008805e+02 1.06 7.033336801e+01 1.266591488e+02 1.478422352e+02 1.08 6.165912022e+01 1.132083227e+02 1.333098687e+02 1.10 5.391789142e+01 1.010558784e+02 1.200835406e+02 1.12 4.701592378e+01 9.008363021e+01 1.080525736e+02 1.14 4.086846186e+01 8.018360036e+01 9.711517320e+01 1.16 3.539891809e+01 7.125719969e+01 8.717777518e+01 1.18 3.053811211e+01 6.321446182e+01 7.815442656e+01 1.20 2.622357832e+01 5.597333017e+01 6.996620304e+01 1.22 2.239893617e+01 4.945899739e+01 6.254066418e+01 1.24 1.901331769e+01 4.360329502e+01 5.581134600e+01 1.26 1.602084771e+01 3.834413074e+01 4.971728983e+01 1.28 1.338017194e+01 3.362497043e+01 4.420260564e+01 1.30 1.105402848e+01 2.939436196e+01 3.921606804e+01 1.32 9.008859119e+00 2.560549797e+01 3.471074303e+01 1.34 7.214456600e+00 2.221581458e+01 3.064364339e+01 1.36 5.643644689e+00 1.918662346e+01 2.697541074e+01 1.38 4.271987922e+00 1.648277448e+01 2.367002223e+01 1.40 3.077528392e+00 1.407234663e+01 2.069452021e+01 1.42 2.040547096e+00 1.192636502e+01 1.801876311e+01 1.44 1.143347536e+00 1.001854169e+01 1.561519586e+01 1.46 3.700595192e-01 8.325038406e+00 1.345863845e+01 1.48 -2.935386554e-01 6.824249570e+00 1.152609109e+01 1.50 -8.601813209e-01 5.496603659e+00 9.796554868e+00 1.52 -1.341261459e+00 4.324381630e+00 8.250866625e+00 1.54 -1.746962969e+00 3.291550867e+00 6.871546911e+00 1.56 -2.086380442e+00 2.383613397e+00 5.642660043e+00 1.58 -2.367627609e+00 1.587467195e+00 4.549685330e+00 1.60 -2.597935518e+00 8.912794846e-01 3.579398596e+00 1.62 -2.783741367e+00 2.843710183e-01 2.719763200e+00 1.64 -2.930768854e+00 -2.428895813e-01 1.959829776e+00 1.66 -3.044100812e+00 -6.991822566e-01 1.289644056e+00 1.68 -3.128243094e+00 -1.092323502e+00 7.001621463e-01 1.70 -3.187178635e+00 -1.429346618e+00 1.831726486e-01 1.72 -3.224419998e+00 -1.716574891e+00 -2.687748953e-01 1.74 -3.243058887e+00 -1.959688301e+00 -6.624357368e-01 1.76 -3.245811196e+00 -2.163784264e+00 -1.003930242e+00 1.78 -3.235057956e+00 -2.333432944e+00 -1.298798329e+00 1.80 -3.212882517e+00 -2.472727635e+00 -1.552051548e+00 1.82 -3.181104356e+00 -2.585330626e+00 -1.768219827e+00 1.84 -3.141309792e+00 -2.674514930e+00 -1.951393880e+00 1.86 -3.094878203e+00 -2.743202220e+00 -2.105264424e+00 1.88 -3.043001775e+00 -2.793997312e+00 -2.233158122e+00 1.90 -2.986706834e+00 -2.829219500e+00 -2.338070513e+00 1.92 -2.926875050e+00 -2.850930993e+00 -2.422696146e+00 1.94 -2.864248112e+00 -2.860962737e+00 -2.489455815e+00 1.96 -2.799421140e+00 -2.860937825e+00 -2.540521133e+00 1.98 -2.732861099e+00 -2.852292723e+00 -2.577837502e+00 2.00 -2.664930388e+00 -2.836296499e+00 -2.603145280e+00 2.02 -2.595909869e+00 -2.814068236e+00 -2.617999184e+00 2.04 -2.526021263e+00 -2.786591123e+00 -2.623786068e+00 2.06 -2.455448910e+00 -2.754706580e+00 -2.621741206e+00 2.08 -2.384360960e+00 -2.719107477e+00 -2.612963187e+00 2.10 -2.312930054e+00 -2.680352296e+00 -2.598427563e+00 2.12 -2.241353599e+00 -2.638881173e+00 -2.578999321e+00 2.14 -2.169873694e+00 -2.595031323e+00 -2.555444294e+00 2.16 -2.098573825e+00 -2.549051819e+00 -2.528439594e+00 2.18 -2.026351978e+00 -2.501117761e+00 -2.498583150e+00 2.20 -1.953058219e+00 -2.451343893e+00 -2.466402412e+00 2.22 -1.878822468e+00 -2.399797770e+00 -2.432362295e+00 2.24 -1.803864390e+00 -2.346512585e+00 -2.396872414e+00 2.26 -1.728508813e+00 -2.291494729e+00 -2.360293660e+00 2.28 -1.653199304e+00 -2.234730708e+00 -2.322944153e+00 2.30 -1.578509026e+00 -2.176220786e+00 -2.285104610e+00 2.32 -1.505148024e+00 -2.115981134e+00 -2.247023144e+00 2.34 -1.433966333e+00 -2.054055633e+00 -2.208919515e+00 2.36 -1.365952993e+00 -1.990528505e+00 -2.170986314e+00 2.38 -1.302232682e+00 -1.925537035e+00 -2.133381047e+00 2.40 -1.243481540e+00 -1.859284405e+00 -2.096224762e+00 2.42 -1.189525321e+00 -1.792052563e+00 -2.059606064e+00 2.44 -1.141674162e+00 -1.724215083e+00 -2.023584802e+00 2.46 -1.101503346e+00 -1.656249930e+00 -1.988195208e+00 2.48 -1.070789973e+00 -1.588752020e+00 -1.953448421e+00 2.50 -1.047012120e+00 -1.522445451e+00 -1.919226214e+00 2.52 -1.023725175e+00 -1.458195271e+00 -1.885308748e+00 2.54 -1.000811632e+00 -1.397018609e+00 -1.851626207e+00 2.56 -9.782518789e-01 -1.340095000e+00 -1.818104111e+00 2.58 -9.560292483e-01 -1.288775704e+00 -1.784664350e+00 2.60 -9.341300213e-01 -1.244591848e+00 -1.751228483e+00 2.62 -9.125434108e-01 -1.209261162e+00 -1.717720957e+00 2.64 -8.912615220e-01 -1.183988206e+00 -1.684072296e+00 2.66 -8.702792924e-01 -1.161370784e+00 -1.650222233e+00 2.68 -8.495944115e-01 -1.138892685e+00 -1.616122822e+00 2.70 -8.292072193e-01 -1.116541793e+00 -1.581741515e+00 2.72 -8.091205826e-01 -1.094306948e+00 -1.547064206e+00 2.74 -7.893397481e-01 -1.072178127e+00 -1.512098250e+00 2.76 -7.698721703e-01 -1.050146610e+00 -1.476875434e+00 2.78 -7.507273108e-01 -1.028205139e+00 -1.441454928e+00 2.80 -7.319164106e-01 -1.006348085e+00 -1.405926200e+00 2.82 -7.134522338e-01 -9.845716234e-01 -1.370411952e+00 2.84 -6.953487826e-01 -9.628739073e-01 -1.335071091e+00 2.86 -6.776209866e-01 -9.412552667e-01 -1.300101831e+00 2.88 -6.602843716e-01 -9.197181690e-01 -1.265745017e+00 2.90 -6.433547141e-01 -8.982654929e-01 -1.232287798e+00 2.92 -6.268476924e-01 -8.768994021e-01 -1.200067816e+00 2.94 -6.107785468e-01 -8.556218051e-01 -1.169478047e+00 2.96 -5.951617571e-01 -8.344349405e-01 -1.140972435e+00 2.98 -5.800097203e-01 -8.133419652e-01 -1.115072357e+00 3.00 -5.653288856e-01 -7.923475259e-01 -1.092373844e+00 3.02 -5.511186840e-01 -7.714582892e-01 -1.073555264e+00 3.04 -5.373721397e-01 -7.506834026e-01 -1.059384976e+00 3.06 -5.240766133e-01 -7.300348524e-01 -1.047581443e+00 3.08 -5.112146709e-01 -7.095276828e-01 -1.034937904e+00 3.10 -4.987651114e-01 -6.891800377e-01 -1.021448372e+00 3.12 -4.867041869e-01 -6.690129901e-01 -1.007142514e+00 3.14 -4.750070573e-01 -6.490501305e-01 -9.920810197e-01 3.16 -4.636495251e-01 -6.293168985e-01 -9.763504188e-01 3.18 -4.526101035e-01 -6.098396615e-01 -9.600555304e-01 3.20 -4.418724671e-01 -5.906445723e-01 -9.433106238e-01 3.22 -4.314283335e-01 -5.717562639e-01 -9.262305819e-01 3.24 -4.212807597e-01 -5.531964783e-01 -9.089232751e-01 3.26 -4.114477255e-01 -5.349827487e-01 -8.914840181e-01 3.28 -4.019655538e-01 -5.171272812e-01 -8.739925058e-01 3.30 -3.928910416e-01 -4.996361820e-01 -8.565121302e-01 3.32 -3.842997787e-01 -4.825090712e-01 -8.390909753e-01 3.34 -3.762755249e-01 -4.657383285e-01 -8.217618656e-01 3.36 -3.688813589e-01 -4.493090985e-01 -8.045431013e-01 3.38 -3.620988018e-01 -4.332009539e-01 -7.874414117e-01 3.40 -3.557229396e-01 -4.173901895e-01 -7.704546813e-01 3.42 -3.492274069e-01 -4.018525230e-01 -7.535740737e-01 3.44 -3.416838657e-01 -3.865660409e-01 -7.367855824e-01 3.46 -3.319016721e-01 -3.715142068e-01 -7.200711334e-01 3.48 -3.188791181e-01 -3.566887513e-01 -7.034093912e-01 3.50 -3.023188663e-01 -3.420922815e-01 -6.867763923e-01 3.52 -2.827438955e-01 -3.277404906e-01 -6.701460940e-01 3.54 -2.611219711e-01 -3.136638888e-01 -6.534908861e-01 3.56 -2.383946136e-01 -2.999090356e-01 -6.367820871e-01 3.58 -2.152458557e-01 -2.865392925e-01 -6.199904379e-01 3.60 -1.921082333e-01 -2.736351610e-01 -6.030865949e-01 3.62 -1.692594502e-01 -2.612942827e-01 -5.860416222e-01 3.64 -1.469100340e-01 -2.496311767e-01 -5.688274878e-01 3.66 -1.252551871e-01 -2.387767428e-01 -5.514175609e-01 3.68 -1.044987937e-01 -2.288774478e-01 -5.337871142e-01 3.70 -8.486302229e-02 -2.200939454e-01 -5.159138280e-01 3.72 -6.659235161e-02 -2.125987193e-01 -4.977782999e-01 3.74 -4.995614025e-02 -2.059833202e-01 -4.793645578e-01 3.76 -3.525139965e-02 -1.991330338e-01 -4.606605770e-01 3.78 -2.280636992e-02 -1.920118955e-01 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