# 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 = HW3 # 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 1.136301248e+03 nan nan 0.84 1.050943689e+03 nan nan 0.86 9.718870915e+02 nan nan 0.88 8.986687442e+02 1.138615186e+03 nan 0.90 8.308593646e+02 1.060028017e+03 nan 0.92 7.680608438e+02 9.868046352e+02 1.059808035e+03 0.94 7.099041018e+02 9.185779113e+02 9.886223980e+02 0.96 6.560470600e+02 8.550056561e+02 9.221604397e+02 0.98 6.061727312e+02 7.957690193e+02 8.601080723e+02 1.00 5.599874275e+02 7.405709678e+02 8.021720012e+02 1.02 5.172190826e+02 6.891348445e+02 7.480784021e+02 1.04 4.776156855e+02 6.412030071e+02 6.975716672e+02 1.06 4.409438198e+02 5.965355474e+02 6.504132202e+02 1.08 4.069873043e+02 5.549090881e+02 6.063804019e+02 1.10 3.755459285e+02 5.161156550e+02 5.652654210e+02 1.12 3.464342777e+02 4.799616208e+02 5.268743702e+02 1.14 3.194806429e+02 4.462667180e+02 4.910263040e+02 1.16 2.945260086e+02 4.148631168e+02 4.575523747e+02 1.18 2.714231146e+02 3.855945649e+02 4.262950252e+02 1.20 2.500355858e+02 3.583155849e+02 3.971072327e+02 1.22 2.302371267e+02 3.328907266e+02 3.698518034e+02 1.24 2.119107737e+02 3.091938706e+02 3.444007134e+02 1.26 1.949482041e+02 2.871075794e+02 3.206344925e+02 1.28 1.792490949e+02 2.665224940e+02 2.984416502e+02 1.30 1.647205295e+02 2.473367716e+02 2.777181392e+02 1.32 1.512764487e+02 2.294555632e+02 2.583668552e+02 1.34 1.388371420e+02 2.127905272e+02 2.402971700e+02 1.36 1.273287765e+02 1.972593767e+02 2.234244965e+02 1.38 1.166829613e+02 1.827854594e+02 2.076698822e+02 1.40 1.068363443e+02 1.692973658e+02 1.929596305e+02 1.42 9.773023827e+01 1.567285655e+02 1.792249477e+02 1.44 8.931027535e+01 1.450170691e+02 1.664016137e+02 1.46 8.152608727e+01 1.341051133e+02 1.544296745e+02 1.48 7.433100904e+01 1.239388684e+02 1.432531560e+02 1.50 6.768180485e+01 1.144681662e+02 1.328197971e+02 1.52 6.153841439e+01 1.056462474e+02 1.230808001e+02 1.54 5.586371797e+01 9.742952546e+01 1.139905992e+02 1.56 5.062331915e+01 8.977736880e+01 1.055066435e+02 1.58 4.578534354e+01 8.265189663e+01 9.758919523e+01 1.60 4.132025256e+01 7.601778998e+01 9.020114147e+01 1.62 3.720067099e+01 6.984211557e+01 8.330781860e+01 1.64 3.340122746e+01 6.409416213e+01 7.687684860e+01 1.66 2.989840666e+01 5.874528807e+01 7.087798639e+01 1.68 2.667041261e+01 5.376877976e+01 6.528297744e+01 1.70 2.369704209e+01 4.913971974e+01 6.006542510e+01 1.72 2.095956738e+01 4.483486403e+01 5.520066670e+01 1.74 1.844062783e+01 4.083252802e+01 5.066565816e+01 1.76 1.612412937e+01 3.711248028e+01 4.643886630e+01 1.78 1.399515149e+01 3.365584369e+01 4.250016841e+01 1.80 1.203986113e+01 3.044500347e+01 3.883075859e+01 1.82 1.024543297e+01 2.746352157e+01 3.541306035e+01 1.84 8.599975555e+00 2.469605696e+01 3.223064522e+01 1.86 7.092462960e+00 2.212829141e+01 2.926815662e+01 1.88 5.712671459e+00 1.974686046e+01 2.651123905e+01 1.90 4.451120891e+00 1.753928904e+01 2.394647189e+01 1.92 3.299020365e+00 1.549393162e+01 2.156130773e+01 1.94 2.248217959e+00 1.359991645e+01 1.934401477e+01 1.96 1.291154145e+00 1.184709353e+01 1.728362312e+01 1.98 4.208186369e-01 1.022598632e+01 1.536987469e+01 2.00 -3.692895685e-01 8.727746612e+00 1.359317641e+01 2.02 -1.085199218e+00 7.344112560e+00 1.194455661e+01 2.04 -1.732501097e+00 6.067369577e+00 1.041562428e+01 2.06 -2.316379801e+00 4.890314105e+00 8.998531065e+00 2.08 -2.841643175e+00 3.806219904e+00 7.685935806e+00 2.10 -3.312749584e+00 2.808806416e+00 6.470971421e+00 2.12 -3.733833184e+00 1.892209230e+00 5.347214002e+00 2.14 -4.108727339e+00 1.050952537e+00 4.308653967e+00 2.16 -4.440985864e+00 2.799234372e-01 3.349669124e+00 2.18 -4.733900972e+00 -4.256520306e-01 2.464999530e+00 2.20 -4.990526278e+00 -1.070231249e+00 1.649724015e+00 2.22 -5.213692657e+00 -1.657975887e+00 8.992382543e-01 2.24 -5.406023833e+00 -2.192771363e+00 2.092343033e-01 2.26 -5.569951223e+00 -2.678245020e+00 -4.243185192e-01 2.28 -5.707727708e+00 -3.117783085e+00 -1.005191484e+00 2.30 -5.821440394e+00 -3.514546504e+00 -1.536913126e+00 2.32 -5.913021495e+00 -3.871485741e+00 -2.022784817e+00 2.34 -5.984260258e+00 -4.191354600e+00 -2.465895309e+00 2.36 -6.036813789e+00 -4.476723143e+00 -2.869133369e+00 2.38 -6.072215906e+00 -4.729989780e+00 -3.235196145e+00 2.40 -6.091885957e+00 -4.953392586e+00 -3.566599095e+00 2.42 -6.097137033e+00 -5.149019894e+00 -3.865687440e+00 2.44 -6.089183612e+00 -5.318820245e+00 -4.134647153e+00 2.46 -6.069148713e+00 -5.464611730e+00 -4.375515406e+00 2.48 -6.038070582e+00 -5.588090784e+00 -4.590190479e+00 2.50 -5.996908975e+00 -5.690840496e+00 -4.780441137e+00 2.52 -5.946551080e+00 -5.774338476e+00 -4.947915489e+00 2.54 -5.887817133e+00 -5.839964342e+00 -5.094149350e+00 2.56 -5.821465752e+00 -5.889006889e+00 -5.220574115e+00 2.58 -5.748199071e+00 -5.922670988e+00 -5.328524164e+00 2.60 -5.668667692e+00 -5.942084291e+00 -5.419243827e+00 2.62 -5.583475513e+00 -5.948303795e+00 -5.493893896e+00 2.64 -5.493184483e+00 -5.942312139e+00 -5.553557729e+00 2.66 -5.398319317e+00 -5.924906286e+00 -5.599246920e+00 2.68 -5.299372210e+00 -5.896897899e+00 -5.631906578e+00 2.70 -5.196807581e+00 -5.859086624e+00 -5.652420192e+00 2.72 -5.091061982e+00 -5.812230786e+00 -5.661614123e+00 2.74 -4.982525058e+00 -5.757054250e+00 -5.660261734e+00 2.76 -4.871535570e+00 -5.694253440e+00 -5.649087201e+00 2.78 -4.758391826e+00 -5.624504419e+00 -5.628769097e+00 2.80 -4.643362281e+00 -5.548469896e+00 -5.599943857e+00 2.82 -4.526695253e+00 -5.466805930e+00 -5.563209349e+00 2.84 -4.408627207e+00 -5.380168022e+00 -5.519128857e+00 2.86 -4.289388989e+00 -5.289216180e+00 -5.468235945e+00 2.88 -4.169209437e+00 -5.194617049e+00 -5.411040868e+00 2.90 -4.048315877e+00 -5.097034079e+00 -5.348039449e+00 2.92 -3.926931297e+00 -4.997118249e+00 -5.279725583e+00 2.94 -3.805268296e+00 -4.895505162e+00 -5.206608786e+00 2.96 -3.683520440e+00 -4.792810213e+00 -5.129238285e+00 2.98 -3.561851126e+00 -4.689621156e+00 -5.048234956e+00 3.00 -3.440380010e+00 -4.586488304e+00 -4.964331646e+00 3.02 -3.319174431e+00 -4.483912869e+00 -4.878420953e+00 3.04 -3.198247274e+00 -4.382334271e+00 -4.791607118e+00 3.06 -3.077562206e+00 -4.282117519e+00 -4.703032550e+00 3.08 -2.957048578e+00 -4.183541947e+00 -4.610892108e+00 3.10 -2.836627964e+00 -4.086792645e+00 -4.515421737e+00 3.12 -2.716253147e+00 -3.991955826e+00 -4.416893011e+00 3.14 -2.595957430e+00 -3.899019110e+00 -4.315626678e+00 3.16 -2.475905067e+00 -3.807877265e+00 -4.212008507e+00 3.18 -2.356420343e+00 -3.718343476e+00 -4.106504333e+00 3.20 -2.237956213e+00 -3.630165614e+00 -3.999672107e+00 3.22 -2.120962666e+00 -3.543046472e+00 -3.892168123e+00 3.24 -2.005670518e+00 -3.456666495e+00 -3.784744131e+00 3.26 -1.891934511e+00 -3.370707199e+00 -3.678232193e+00 3.28 -1.779355630e+00 -3.284873391e+00 -3.573515092e+00 3.30 -1.667691272e+00 -3.198912371e+00 -3.471482125e+00 3.32 -1.557186510e+00 -3.112627966e+00 -3.372971988e+00 3.34 -1.448539935e+00 -3.025882387e+00 -3.278699763e+00 3.36 -1.342707004e+00 -2.938593327e+00 -3.189188469e+00 3.38 -1.240799524e+00 -2.850733717e+00 -3.104724577e+00 3.40 -1.144071399e+00 -2.762328839e+00 -3.025335931e+00 3.42 -1.053924399e+00 -2.673451896e+00 -2.950796251e+00 3.44 -9.719153365e-01 -2.584219773e+00 -2.880656452e+00 3.46 -8.997629273e-01 -2.494790287e+00 -2.814297851e+00 3.48 -8.393542476e-01 -2.405361508e+00 -2.750998228e+00 3.50 -7.927507392e-01 -2.316173013e+00 -2.689999962e+00 3.52 -7.603461702e-01 -2.227508585e+00 -2.630570128e+00 3.54 -7.302423642e-01 -2.139699733e+00 -2.572045198e+00 3.56 -6.999206235e-01 -2.053129579e+00 -2.513856922e+00 3.58 -6.694454700e-01 -1.968236831e+00 -2.455539990e+00 3.60 -6.388961815e-01 -1.885519719e+00 -2.396725279e+00 3.62 -6.083679072e-01 -1.805539831e+00 -2.337124251e+00 3.64 -5.779727705e-01 -1.728925839e+00 -2.276510200e+00 3.66 -5.478409662e-01 -1.656377091e+00 -2.214700900e+00 3.68 -5.181218701e-01 -1.588667061e+00 -2.151545269e+00 3.70 -4.889851821e-01 -1.526646645e+00 -2.086914865e+00 3.72 -4.606221547e-01 -1.471247286e+00 -2.020699635e+00 3.74 -4.332469851e-01 -1.420489131e+00 -1.952806774e+00 3.76 -4.070985326e-01 -1.368751927e+00 -1.883161508e+00 3.78 -3.824426977e-01 -1.315828512e+00 -1.811708913e+00 3.80 -3.595762737e-01 -1.261696514e+00 -1.738416247e+00 3.82 -3.388347259e-01 -1.206350694e+00 -1.663275514e+00 3.84 -3.206156013e-01 -1.149804839e+00 -1.586306145e+00 3.86 -3.045745822e-01 -1.092093694e+00 -1.507557774e+00 3.88 -2.883622167e-01 -1.033274937e+00 -1.427113056e+00 3.90 -2.718305888e-01 -9.734311865e-01 -1.345090558e+00 3.92 -2.550100052e-01 -9.126720481e-01 -1.261647676e+00 3.94 -2.379393170e-01 -8.511361832e-01 -1.176983607e+00 3.96 -2.206665488e-01 -7.889934063e-01 -1.091342326e+00 3.98 -2.032495356e-01 -7.264468003e-01 -1.005015600e+00 4.00 -1.857565640e-01 -6.637348494e-01 -9.183459911e-01 4.02 -1.682670153e-01 -6.011335852e-01 -8.317298678e-01 4.04 -1.508720084e-01 -5.389587448e-01 -7.456203936e-01 4.06 -1.336750401e-01 -4.775679433e-01 -6.605304971e-01 4.08 -1.167926194e-01 -4.173628631e-01 -5.770358081e-01 4.10 -1.003548940e-01 -3.587914733e-01 -4.957775567e-01 4.12 -8.450626540e-02 -3.023502982e-01 -4.174654334e-01 4.14 -6.940598983e-02 -2.485867685e-01 -3.428804105e-01 4.16 -5.522876309e-02 -1.981017209e-01 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