# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Bonny-G-Grigorev-P-Terentyev-D--W-H-He-1 # implementation = 2014--Bonny-G--W-H-He-1--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 2022-05-24 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 1.078285532e+02 nan nan 0.88 9.895417511e+01 nan nan 0.90 9.075448766e+01 nan nan 0.92 8.320202511e+01 nan nan 0.94 7.631570187e+01 nan nan 0.96 7.003393431e+01 nan nan 0.98 6.423700544e+01 9.157910766e+01 9.973163814e+01 1.00 5.887687447e+01 8.491298838e+01 9.228675502e+01 1.02 5.392111791e+01 7.867572459e+01 8.546487967e+01 1.04 4.935493375e+01 7.283169893e+01 7.923242437e+01 1.06 4.513446786e+01 6.734872088e+01 7.349720304e+01 1.08 4.120398953e+01 6.218820350e+01 6.822831768e+01 1.10 3.753278583e+01 5.733905020e+01 6.337139408e+01 1.12 3.409121308e+01 5.278357722e+01 5.882415295e+01 1.14 3.085288346e+01 4.849628247e+01 5.454936805e+01 1.16 2.781464137e+01 4.448269500e+01 5.052814307e+01 1.18 2.499690635e+01 4.071857470e+01 4.673699843e+01 1.20 2.240773760e+01 3.718758284e+01 4.316630384e+01 1.22 2.003946771e+01 3.388056033e+01 3.980650419e+01 1.24 1.787435500e+01 3.079817095e+01 3.663230692e+01 1.26 1.589703548e+01 2.796538288e+01 3.363057372e+01 1.28 1.409202157e+01 2.536318804e+01 3.079885896e+01 1.30 1.245015647e+01 2.297071659e+01 2.813604203e+01 1.32 1.097912580e+01 2.077021260e+01 2.567346666e+01 1.34 9.677614927e+00 1.874219920e+01 2.342718017e+01 1.36 8.513355269e+00 1.686870740e+01 2.134837487e+01 1.38 7.463742738e+00 1.513880500e+01 1.940607123e+01 1.40 6.517514984e+00 1.354817611e+01 1.758829043e+01 1.42 5.664866020e+00 1.209355086e+01 1.588548094e+01 1.44 4.896366429e+00 1.076941375e+01 1.430314935e+01 1.46 4.201396816e+00 9.569614759e+00 1.284565923e+01 1.48 3.570147067e+00 8.486641832e+00 1.150982232e+01 1.50 2.998834421e+00 7.509497287e+00 1.028993785e+01 1.52 2.505139177e+00 6.620497775e+00 9.177930853e+00 1.54 2.102850868e+00 5.808907303e+00 8.165499524e+00 1.56 1.774555511e+00 5.067797426e+00 7.244440489e+00 1.58 1.500680862e+00 4.392921481e+00 6.408432195e+00 1.60 1.274245354e+00 3.792560290e+00 5.650862421e+00 1.62 1.091331821e+00 3.288610399e+00 4.969749366e+00 1.64 9.477745548e-01 2.876864756e+00 4.362319371e+00 1.66 8.354843652e-01 2.525672964e+00 3.824326830e+00 1.68 7.463602002e-01 2.215675325e+00 3.351388310e+00 1.70 6.727434115e-01 1.940105005e+00 2.938685581e+00 1.72 6.073668387e-01 1.694047224e+00 2.581019948e+00 1.74 5.463530767e-01 1.472762499e+00 2.269213430e+00 1.76 4.890685340e-01 1.274341336e+00 1.994892623e+00 1.78 4.366232740e-01 1.099314255e+00 1.752623839e+00 1.80 3.903467694e-01 9.469066348e-01 1.538239152e+00 1.82 3.509086861e-01 8.157267542e-01 1.348189349e+00 1.84 3.179056164e-01 7.029192219e-01 1.182034630e+00 1.86 2.907432039e-01 6.068306803e-01 1.044901020e+00 1.88 2.688236209e-01 5.263415043e-01 9.390507923e-01 1.90 2.515479581e-01 4.603226977e-01 8.542083025e-01 1.92 2.382822482e-01 4.075291786e-01 7.782526297e-01 1.94 2.272093388e-01 3.650538792e-01 7.061719351e-01 1.96 2.166318934e-01 3.298360460e-01 6.366960434e-01 1.98 2.062038863e-01 3.009490101e-01 5.692703512e-01 2.00 1.957809223e-01 2.775773626e-01 5.033656796e-01 2.02 1.853074304e-01 2.589417780e-01 4.387776317e-01 2.04 1.747803415e-01 2.444011798e-01 3.763819197e-01 2.06 1.642995135e-01 2.332458277e-01 3.170823024e-01 2.08 1.540975111e-01 2.245477157e-01 2.615600774e-01 2.10 1.443971462e-01 2.173606274e-01 2.103625574e-01 2.12 1.352010092e-01 2.107509176e-01 1.633810962e-01 2.14 1.263371552e-01 2.039415379e-01 1.206095721e-01 2.16 1.176268962e-01 1.966899048e-01 8.218183536e-02 2.18 1.088898345e-01 1.889600188e-01 4.824175401e-02 2.20 9.994425762e-02 1.809141052e-01 1.892425194e-02 2.22 9.060761869e-02 1.727191036e-01 -5.874481285e-03 2.24 8.075761333e-02 1.643998575e-01 -2.700892216e-02 2.26 7.054305244e-02 1.559065950e-01 -4.519865488e-02 2.28 6.018984356e-02 1.471874645e-01 -6.071736890e-02 2.30 4.992653273e-02 1.381889692e-01 -7.381595126e-02 2.32 3.998584091e-02 1.288560832e-01 -8.473726821e-02 2.34 3.060665371e-02 1.191370928e-01 -9.371500010e-02 2.36 2.203222994e-02 1.088481290e-01 -1.009810798e-01 2.38 1.440784196e-02 9.752571315e-02 -1.069758046e-01 2.40 7.778945992e-03 8.530123202e-02 -1.123589629e-01 2.42 2.202634384e-03 7.252608237e-02 -1.177870337e-01 2.44 -2.389464318e-03 5.955130339e-02 -1.239004139e-01 2.46 -6.190972658e-03 4.672645806e-02 -1.312800058e-01 2.48 -9.178609668e-03 3.439962066e-02 -1.399382334e-01 2.50 -1.125876388e-02 2.291735233e-02 -1.495020959e-01 2.52 -1.218270538e-02 1.262467695e-02 -1.595440764e-01 2.54 -1.211406461e-02 3.865025084e-03 -1.695934752e-01 2.56 -1.059599634e-02 -3.019991898e-03 -1.792080930e-01 2.58 -6.237232425e-03 -7.795117774e-03 -1.881925436e-01 2.60 -6.108537341e-03 -1.051707787e-02 -1.964765616e-01 2.62 -2.385203517e-03 -1.129983928e-02 -2.039911807e-01 2.64 7.292173501e-03 -1.027578114e-02 -2.106677659e-01 2.66 2.265525431e-02 -7.582212012e-03 -2.164380100e-01 2.68 4.196240146e-02 -3.351794075e-03 -2.212337070e-01 2.70 5.920496639e-02 2.234719843e-03 -2.249794174e-01 2.72 7.138138733e-02 9.158504797e-03 -2.277283710e-01 2.74 7.817149240e-02 1.667338388e-02 -2.301145067e-01 2.76 8.029967629e-02 2.695779589e-02 -2.324622085e-01 2.78 7.885861862e-02 3.523129291e-02 -2.346817282e-01 2.80 7.485382310e-02 4.193971275e-02 -2.366659767e-01 2.82 6.917755621e-02 5.474897229e-02 -2.383082487e-01 2.84 6.266145856e-02 7.351850738e-02 -2.395021809e-01 2.86 5.583371449e-02 9.664187705e-02 -2.401419157e-01 2.88 4.888951353e-02 1.174623857e-01 -2.401219162e-01 2.90 4.200925756e-02 1.315173007e-01 -2.393371372e-01 2.92 3.537334846e-02 1.385821255e-01 -2.376830244e-01 2.94 2.916217753e-02 1.398463323e-01 -2.350557193e-01 2.96 2.352057096e-02 1.367067154e-01 -2.313518070e-01 2.98 1.847840927e-02 1.304166212e-01 -2.265270771e-01 3.00 1.404239398e-02 1.220945696e-01 -2.206015569e-01 3.02 1.021789602e-02 1.127290855e-01 -2.136745198e-01 3.04 7.004964004e-03 1.027426814e-01 -2.057043350e-01 3.06 4.402315937e-03 9.237879394e-02 -1.968451481e-01 3.08 2.408669843e-03 8.189647227e-02 -1.874974540e-01 3.10 1.023304415e-03 7.155563154e-02 -1.771167954e-01 3.12 2.501639952e-04 6.161604138e-02 -1.644429900e-01 3.14 1.433556952e-05 5.228143685e-02 -1.539404221e-01 3.16 0.000000000e+00 4.361504709e-02 -1.450442197e-01 3.18 0.000000000e+00 3.565843220e-02 -1.334453092e-01 3.20 0.000000000e+00 2.845315232e-02 -1.188550965e-01 3.22 0.000000000e+00 2.204076757e-02 -1.012093222e-01 3.24 0.000000000e+00 1.646283806e-02 -8.100962145e-02 3.26 0.000000000e+00 1.176092393e-02 -5.904510684e-02 3.28 0.000000000e+00 7.976691926e-03 -3.829798517e-02 3.30 0.000000000e+00 5.155807057e-03 -2.049229357e-02 3.32 0.000000000e+00 3.329928469e-03 -6.087965362e-03 3.34 0.000000000e+00 2.253386297e-03 5.085487221e-03 3.36 0.000000000e+00 1.509254781e-03 1.341434135e-02 3.38 0.000000000e+00 9.504344975e-04 1.933368528e-02 3.40 0.000000000e+00 5.500199639e-04 2.326374741e-02 3.42 0.000000000e+00 2.816102215e-04 2.558494541e-02 3.44 0.000000000e+00 1.188043122e-04 2.664275684e-02 3.46 0.000000000e+00 3.520127769e-05 2.676218895e-02 3.48 0.000000000e+00 4.400159724e-06 2.625334730e-02 3.50 0.000000000e+00 -1.056938050e-11 2.527262445e-02 3.52 0.000000000e+00 0.000000000e+00 2.388107409e-02 3.54 0.000000000e+00 0.000000000e+00 2.216507980e-02 3.56 0.000000000e+00 0.000000000e+00 2.021762549e-02 3.58 0.000000000e+00 0.000000000e+00 1.813169503e-02 3.60 0.000000000e+00 0.000000000e+00 1.600027083e-02 3.62 0.000000000e+00 0.000000000e+00 1.390265999e-02 3.64 0.000000000e+00 0.000000000e+00 1.187106710e-02 3.66 0.000000000e+00 0.000000000e+00 9.927563180e-03 3.68 0.000000000e+00 0.000000000e+00 8.094219233e-03 3.70 0.000000000e+00 0.000000000e+00 6.393106268e-03 3.72 0.000000000e+00 0.000000000e+00 4.846295294e-03 3.74 0.000000000e+00 0.000000000e+00 3.475857320e-03 3.76 0.000000000e+00 0.000000000e+00 2.303863355e-03 3.78 0.000000000e+00 0.000000000e+00 1.352384895e-03 3.80 0.000000000e+00 0.000000000e+00 6.441758375e-04 3.82 0.000000000e+00 0.000000000e+00 2.040288129e-04 3.84 0.000000000e+00 0.000000000e+00 2.763027840e-05 3.86 0.000000000e+00 0.000000000e+00 4.640460818e-09 3.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.92 0.000000000e+00 0.000000000e+00 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0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 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0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 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