# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Mason-D-R-Nguyen-Manh-D-Lindblad-V-W-et-al--W-H # implementation = 2023--Mason-D-R--W-H--LAMMPS--ipr1 # composition = H # 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 2023-09-27 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 2.738592301e+03 nan 0.66 nan nan nan nan nan nan nan nan 2.461448079e+03 nan 0.68 nan nan nan nan nan nan nan nan 2.216364765e+03 nan 0.70 nan nan nan nan nan 1.679068098e+03 nan nan 1.998559251e+03 nan 0.72 nan nan nan nan nan 1.505159264e+03 nan nan 1.804011664e+03 nan 0.74 nan nan nan nan nan 1.348281231e+03 nan nan 1.629292582e+03 nan 0.76 nan nan nan nan nan 1.206500192e+03 nan nan 1.471624910e+03 nan 0.78 nan nan nan nan nan 1.078294947e+03 nan nan 1.328774977e+03 nan 0.80 nan 1.738642929e+03 nan 2.637195615e+03 2.636832651e+03 9.625707263e+02 nan nan 1.198911311e+03 1.750193143e+03 0.82 nan 1.584374478e+03 nan 2.416744462e+03 2.416014957e+03 8.582662949e+02 1.623062514e+03 nan 1.080637875e+03 1.595719967e+03 0.84 nan 1.445136989e+03 nan 2.217367367e+03 2.216429877e+03 7.643439585e+02 1.482386893e+03 nan 9.728142202e+02 1.454731787e+03 0.86 nan 1.319147312e+03 nan 2.036835619e+03 2.035916978e+03 6.798236830e+02 1.353468241e+03 nan 8.744548327e+02 1.325788257e+03 0.88 nan 1.204842033e+03 nan 1.872977600e+03 1.872338355e+03 6.038431516e+02 1.235068169e+03 nan 7.846377745e+02 1.207620293e+03 0.90 1.724000444e+03 1.100758577e+03 1.552513181e+03 1.723885707e+03 1.723691909e+03 5.354176695e+02 1.126061827e+03 1.601921078e+03 7.025160036e+02 1.099195378e+03 0.92 1.587595846e+03 1.005519817e+03 1.428881925e+03 1.587942199e+03 1.588138160e+03 4.734900017e+02 1.025537793e+03 1.473942255e+03 6.273020319e+02 9.996545041e+02 0.94 1.463176906e+03 9.178223705e+02 1.315014226e+03 1.463761395e+03 1.464198436e+03 4.173416952e+02 9.328389421e+02 1.357183332e+03 5.583971353e+02 9.081542895e+02 0.96 1.349509393e+03 8.366747620e+02 1.210103459e+03 1.350117892e+03 1.350655280e+03 3.664888807e+02 8.473510839e+02 1.250326994e+03 4.952538831e+02 8.239596275e+02 0.98 1.245313481e+03 7.613121244e+02 1.113419703e+03 1.245785339e+03 1.246291375e+03 3.204950355e+02 7.684775073e+02 1.151986664e+03 4.373610741e+02 7.463527502e+02 1.00 1.149299469e+03 6.910871922e+02 1.024223330e+03 1.149553314e+03 1.149917780e+03 2.788983234e+02 6.956399057e+02 1.060957230e+03 3.843047658e+02 6.746775379e+02 1.02 1.060192756e+03 6.254672629e+02 9.417365903e+02 1.060259522e+03 1.060456995e+03 2.411902342e+02 6.282943358e+02 9.763223724e+02 3.357208343e+02 6.083209251e+02 1.04 9.771531026e+02 5.640702145e+02 8.651681040e+02 9.771348014e+02 9.771948981e+02 2.068259823e+02 5.659423449e+02 8.975158686e+02 2.912231656e+02 5.467883702e+02 1.06 8.997291987e+02 5.065952687e+02 7.938311739e+02 8.996821145e+02 8.996337273e+02 1.759733385e+02 5.081075728e+02 8.241027940e+02 2.504196086e+02 4.897806860e+02 1.08 8.275180860e+02 4.527525818e+02 7.270528192e+02 8.274360574e+02 8.273005267e+02 1.493143738e+02 4.543620277e+02 7.556633915e+02 2.129122894e+02 4.370264430e+02 1.10 7.601184899e+02 4.022569983e+02 6.643459954e+02 7.599947078e+02 7.598004372e+02 1.262064084e+02 4.044047813e+02 6.917695955e+02 1.789804324e+02 3.882512025e+02 1.12 6.971443155e+02 3.548653885e+02 6.054232908e+02 6.969822684e+02 6.967630307e+02 1.062057352e+02 3.579978058e+02 6.319908941e+02 1.499523271e+02 3.432161201e+02 1.14 6.382019599e+02 3.103606005e+02 5.500337123e+02 6.380138447e+02 6.378057325e+02 8.893989888e+01 3.148987178e+02 5.759136025e+02 1.252246010e+02 3.016853615e+02 1.16 5.828750302e+02 2.685912777e+02 4.979262353e+02 5.827000207e+02 5.825419125e+02 7.407456250e+01 2.748582966e+02 5.231754066e+02 1.041404125e+02 2.634070162e+02 1.18 5.307854155e+02 2.294693432e+02 4.488443648e+02 5.306848573e+02 5.306102141e+02 6.130999120e+01 2.376065229e+02 4.734985237e+02 8.615118739e+01 2.281088284e+02 1.20 4.816937219e+02 1.930245797e+02 4.025289042e+02 4.816947401e+02 4.817118479e+02 5.037797156e+01 2.028558218e+02 4.266771292e+02 7.083464345e+01 1.955401699e+02 1.22 4.353758510e+02 1.609683654e+02 3.587794877e+02 4.354752787e+02 4.355785713e+02 4.103924298e+01 1.715210642e+02 3.825105282e+02 5.784573697e+01 1.667367970e+02 1.24 3.916012055e+02 1.335078598e+02 3.174553649e+02 3.917784159e+02 3.919557436e+02 3.308835131e+01 1.444178385e+02 3.407960988e+02 4.687588426e+01 1.417200258e+02 1.26 3.501842284e+02 1.101206253e+02 2.784709210e+02 3.504156980e+02 3.506471676e+02 2.635670956e+01 1.210711120e+02 3.013823933e+02 3.764703926e+01 1.199266750e+02 1.28 3.110073227e+02 9.031826170e+01 2.417467674e+02 3.112639358e+02 3.115205488e+02 2.069466784e+01 1.010395913e+02 2.641629360e+02 2.991509984e+01 1.009708027e+02 1.30 2.739723892e+02 7.363878872e+01 2.072047146e+02 2.742161038e+02 2.744598185e+02 1.596797947e+01 8.391574224e+01 2.290340601e+02 2.347190529e+01 8.453540838e+01 1.32 2.389837074e+02 5.965394093e+01 1.756469213e+02 2.391803444e+02 2.393769814e+02 1.205664825e+01 6.932599375e+01 1.959579934e+02 1.813656096e+01 7.033075857e+01 1.34 2.059457383e+02 4.798057786e+01 1.481716604e+02 2.060732092e+02 2.062006800e+02 8.854292858e+00 5.693094796e+01 1.663115701e+02 1.375204060e+01 5.809234080e+01 1.36 1.756512011e+02 3.828140340e+01 1.243812354e+02 1.756981845e+02 1.757451680e+02 6.269446931e+00 4.642929964e+01 1.404063561e+02 1.018216869e+01 4.758021145e+01 1.38 1.490352843e+02 3.026465818e+01 1.038881490e+02 1.490176677e+02 1.490000511e+02 4.221894343e+00 3.755564610e+01 1.178695974e+02 7.307687845e+00 3.857969866e+01 1.40 1.257577381e+02 2.367445943e+01 8.632922589e+01 1.256960730e+02 1.256344079e+02 2.640284179e+00 3.007447039e+01 9.836891176e+01 5.025856092e+00 3.091685632e+01 1.42 1.055175886e+02 1.828673274e+01 7.136704865e+01 1.054292212e+02 1.053408538e+02 1.461589512e+00 2.379195451e+01 8.159420544e+01 3.250615104e+00 2.444807311e+01 1.44 8.802329245e+01 1.390740488e+01 5.868483147e+01 8.792247819e+01 8.782166393e+01 6.275159053e-01 1.855270569e+01 6.725057045e+01 1.908721270e+00 1.903865533e+01 1.46 7.298702421e+01 1.037892343e+01 4.798335735e+01 7.288521791e+01 7.278341161e+01 8.215597872e-02 1.421740289e+01 5.505739202e+01 9.357363738e-01 1.455911646e+01 1.48 6.013648471e+01 7.565434963e+00 3.898877169e+01 6.004261955e+01 5.994875439e+01 -2.261448984e-01 1.066283452e+01 4.475281564e+01 2.740972123e-01 1.089033547e+01 1.50 4.921659213e+01 5.347821919e+00 3.145335289e+01 4.913733710e+01 4.905808207e+01 -3.668435808e-01 7.783676506e+00 3.609540149e+01 -1.275063668e-01 7.923699373e+00 1.52 3.999013185e+01 3.622963726e+00 2.515664860e+01 3.993014838e+01 3.987016491e+01 -4.111043109e-01 5.485998999e+00 2.886881595e+01 -3.273284830e-01 5.560816475e+00 1.54 3.223849198e+01 2.302981819e+00 1.991607533e+01 3.220061386e+01 3.216273574e+01 -4.073446529e-01 3.685153932e+00 2.287742992e+01 -4.026241498e-01 3.713247645e+00 1.56 2.576686152e+01 1.315053005e+00 1.557934733e+01 2.575103822e+01 2.573521492e+01 -3.860453367e-01 2.305495125e+00 1.794502383e+01 -4.117683372e-01 2.302976035e+00 1.58 2.040204373e+01 6.010907494e-01 1.201313107e+01 2.040485258e+01 2.040766143e+01 -3.648447139e-01 1.280066174e+00 1.391400222e+01 -3.929712582e-01 1.261210357e+00 1.60 1.598661001e+01 1.153206394e-01 9.099256984e+00 1.600219504e+01 1.601778007e+01 -3.527093499e-01 5.502955587e-01 1.064350917e+01 -3.694979159e-01 5.268220157e-01 1.62 1.237862310e+01 -1.814086558e-01 6.736414629e+00 1.240036794e+01 1.242211277e+01 -3.531411690e-01 6.581742615e-02 8.009016687e+00 -3.540860611e-01 4.600034541e-02 1.64 9.451438522e+00 -3.359202442e-01 4.841958471e+00 9.474443550e+00 9.497448578e+00 -3.663747925e-01 -2.175967901e-01 5.901793065e+00 -3.524028224e-01 -2.296217853e-01 1.66 7.093313662e+00 -4.004333995e-01 3.343763674e+00 7.114435719e+00 7.135557777e+00 -3.908050973e-01 -3.562949000e-01 4.228245679e+00 -3.656608299e-01 -3.615076635e-01 1.68 5.206878105e+00 -4.130274029e-01 2.178544851e+00 5.224367452e+00 5.241856799e+00 -4.240200212e-01 -4.074377801e-01 2.909190538e+00 -3.925275513e-01 -4.085597540e-01 1.70 3.708508133e+00 -4.000113135e-01 1.291509096e+00 3.721684457e+00 3.734860781e+00 -4.634811501e-01 -4.110704024e-01 1.879372587e+00 -4.304603094e-01 -4.106548176e-01 1.72 2.527619684e+00 -3.788563658e-01 6.359899549e-01 2.536588755e+00 2.545557827e+00 -5.069249628e-01 -3.937530177e-01 1.089695568e+00 -4.765702774e-01 -3.933849835e-01 1.74 1.605993430e+00 -3.605960524e-01 1.730722284e-01 1.611396676e+00 1.616799921e+00 -5.525619048e-01 -3.722144034e-01 5.028832288e-01 -5.280861471e-01 -3.723848684e-01 1.76 8.984317985e-01 -3.516392205e-01 -1.284471886e-01 9.012216283e-01 9.040114581e-01 -5.990410172e-01 -3.563290698e-01 8.867099523e-02 -5.825524873e-01 -3.567189611e-01 1.78 3.736853567e-01 -3.551255248e-01 -3.001527434e-01 3.748964552e-01 3.761075538e-01 -6.451064612e-01 -3.513450159e-01 -1.767418981e-01 -6.377046520e-01 -3.512874980e-01 1.80 7.853150194e-03 -3.718838459e-01 -3.835282074e-01 8.273146020e-03 8.693141846e-03 -6.897368250e-01 -3.592948917e-01 -3.246044383e-01 -6.916222099e-01 -3.581413284e-01 1.82 -2.207083505e-01 -4.011678042e-01 -4.117997096e-01 -2.206074772e-01 -2.205066039e-01 -7.321932535e-01 -3.800691652e-01 -3.933999168e-01 -7.428000665e-01 -3.773534996e-01 1.84 -3.451302108e-01 -4.412340316e-01 -4.090456358e-01 -3.451169456e-01 -3.451036803e-01 -7.719867571e-01 -4.122439448e-01 -4.131666089e-01 -7.901354902e-01 -4.077097805e-01 1.86 -4.004358015e-01 -4.897817346e-01 -3.921537044e-01 -4.004354719e-01 -4.004351424e-01 -8.088348128e-01 -4.536899958e-01 -4.060032415e-01 -8.328874936e-01 -4.472472992e-01 1.88 -4.133325784e-01 -5.442760574e-01 -3.725158758e-01 -4.133325784e-01 -4.133325784e-01 -8.426093640e-01 -5.019985508e-01 -3.875637786e-01 -8.706194312e-01 -4.936528552e-01 1.90 -4.034484252e-01 -6.021774347e-01 -3.574558143e-01 -4.034484252e-01 -4.034484252e-01 -8.731818559e-01 -5.547169380e-01 -3.684000367e-01 -9.031009807e-01 -5.445476039e-01 1.92 -3.846673476e-01 -6.610973104e-01 -3.513067725e-01 -3.846673476e-01 -3.846673476e-01 -9.003394487e-01 -6.095206192e-01 -3.551267095e-01 -9.302097342e-01 -5.976799398e-01 1.94 -3.663241913e-01 -7.188972769e-01 -3.561570912e-01 -3.663241913e-01 -3.663241913e-01 -9.239330929e-01 -6.643501443e-01 -3.514049636e-01 -9.519747124e-01 -6.510470252e-01 1.96 -3.542397068e-01 -7.737439292e-01 -3.724685350e-01 -3.542397068e-01 -3.542397068e-01 -9.438830052e-01 -7.174744659e-01 -3.587523602e-01 -9.685532071e-01 -7.029622208e-01 1.98 -3.515946084e-01 -8.241334277e-01 -3.995762190e-01 -3.515946084e-01 -3.515946084e-01 -9.601693624e-01 -7.675132479e-01 -3.771945173e-01 -9.801945549e-01 -7.520802118e-01 2.00 -3.596500988e-01 -8.688920480e-01 -4.360829220e-01 -3.596500988e-01 -3.596500988e-01 -9.728233038e-01 -8.134282334e-01 -4.057770148e-01 -9.872058447e-01 -7.973938882e-01 2.02 -3.783290058e-01 -9.071618079e-01 -4.801637317e-01 -3.783290058e-01 -3.783290058e-01 -9.819185496e-01 -8.544952251e-01 -4.429576629e-01 -9.899202449e-01 -8.382104099e-01 2.04 -4.066737027e-01 -9.383760722e-01 -5.297952451e-01 -4.066737027e-01 -4.066737027e-01 -9.875636221e-01 -8.902623886e-01 -4.868978661e-01 -9.886677202e-01 -8.741140241e-01 2.06 -4.431981500e-01 -9.622284125e-01 -5.829236848e-01 -4.431981500e-01 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