# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Byggmastar-J-Hodille-E-A-Ferro-Y-Nordlund-K--Be-O # implementation = 2018--Byggmastar-J--Be-O--LAMMPS--ipr1 # composition = Be3O # 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 5.806023919e+02 nan nan 0.64 5.172137435e+02 nan nan 0.66 4.642727090e+02 6.354864126e+02 nan 0.68 4.190715411e+02 5.713697677e+02 6.327234399e+02 0.70 3.804228008e+02 5.154844606e+02 5.673115697e+02 0.72 3.461668660e+02 4.663271938e+02 5.107263271e+02 0.74 3.159262995e+02 4.228362518e+02 4.629054171e+02 0.76 2.890145332e+02 3.850290936e+02 4.231608395e+02 0.78 2.646550198e+02 3.532304158e+02 3.886358378e+02 0.80 2.424451939e+02 3.260456003e+02 3.579741528e+02 0.82 2.220623025e+02 3.010748248e+02 3.304698381e+02 0.84 2.031522106e+02 2.777897080e+02 3.054732633e+02 0.86 1.859104587e+02 2.560307926e+02 2.827987929e+02 0.88 1.698748116e+02 2.358976051e+02 2.620810166e+02 0.90 1.546365825e+02 2.177975272e+02 2.428297785e+02 0.92 1.402038535e+02 2.011150880e+02 2.242892284e+02 0.94 1.268424024e+02 1.851307436e+02 2.060899046e+02 0.96 1.147776264e+02 1.696631663e+02 1.887270033e+02 0.98 1.041223779e+02 1.546198325e+02 1.725802709e+02 1.00 9.498562170e+01 1.403851666e+02 1.580590020e+02 1.02 8.690905601e+01 1.273822450e+02 1.455465969e+02 1.04 7.908747875e+01 1.160659774e+02 1.343958178e+02 1.06 7.154514305e+01 1.064842287e+02 1.237479647e+02 1.08 6.433921601e+01 9.813868477e+01 1.135911294e+02 1.10 5.749869365e+01 9.051360473e+01 1.038685941e+02 1.12 5.112079960e+01 8.348014181e+01 9.466809780e+01 1.14 4.535947007e+01 7.701326647e+01 8.612627870e+01 1.16 4.039625948e+01 7.106382338e+01 7.839246069e+01 1.18 3.632326521e+01 6.548955745e+01 7.154543945e+01 1.20 3.283353826e+01 6.020255297e+01 6.566214548e+01 1.22 2.960388647e+01 5.507892973e+01 6.053494247e+01 1.24 2.660726043e+01 5.003396341e+01 5.575307845e+01 1.26 2.385797726e+01 4.507515405e+01 5.130487356e+01 1.28 2.136049573e+01 4.016758508e+01 4.720238169e+01 1.30 1.897334564e+01 3.536936189e+01 4.344448824e+01 1.32 1.667654384e+01 3.073175881e+01 4.001658755e+01 1.34 1.450148696e+01 2.631895089e+01 3.685941553e+01 1.36 1.241982021e+01 2.223045534e+01 3.379383573e+01 1.38 1.042737693e+01 1.857138270e+01 3.076888377e+01 1.40 8.530740037e+00 1.574931377e+01 2.774190393e+01 1.42 6.747526997e+00 1.395944738e+01 2.471768017e+01 1.44 5.124363008e+00 1.242360685e+01 2.173232319e+01 1.46 3.713228265e+00 1.100638381e+01 1.881322167e+01 1.48 2.587452314e+00 9.672314001e+00 1.598748528e+01 1.50 1.802427403e+00 8.398923557e+00 1.330391993e+01 1.52 1.192046735e+00 7.201604443e+00 1.086452563e+01 1.54 6.382262721e-01 6.093029277e+00 8.837669592e+00 1.56 1.366895343e-01 5.081498349e+00 7.394843070e+00 1.58 -3.165390612e-01 4.170488718e+00 6.295198878e+00 1.60 -7.251547365e-01 3.359051712e+00 5.315177226e+00 1.62 -1.092591512e+00 2.642495769e+00 4.456456106e+00 1.64 -1.422040077e+00 2.012934135e+00 3.702910125e+00 1.66 -1.716464454e+00 1.453183962e+00 3.011396680e+00 1.68 -1.978617546e+00 9.417063441e-01 2.375243007e+00 1.70 -2.211055624e+00 4.746064354e-01 1.788609881e+00 1.72 -2.416151843e+00 4.874690151e-02 1.244219748e+00 1.74 -2.596108844e+00 -3.388024779e-01 7.437247159e-01 1.76 -2.752970498e+00 -6.907781507e-01 2.884161084e-01 1.78 -2.888632862e+00 -1.009735279e+00 -1.218008166e-01 1.80 -3.004854387e+00 -1.298059428e+00 -4.885927290e-01 1.82 -3.103265440e+00 -1.557977503e+00 -8.151115788e-01 1.84 -3.185377172e+00 -1.791567992e+00 -1.105665000e+00 1.86 -3.252589796e+00 -2.000770546e+00 -1.365215480e+00 1.88 -3.306200292e+00 -2.187394953e+00 -1.598809466e+00 1.90 -3.347409595e+00 -2.353129531e+00 -1.811035420e+00 1.92 -3.377329291e+00 -2.499548990e+00 -2.003143072e+00 1.94 -3.396987862e+00 -2.628121790e+00 -2.175245517e+00 1.96 -3.407411504e+00 -2.740217024e+00 -2.328773645e+00 1.98 -3.407773023e+00 -2.837110864e+00 -2.465066613e+00 2.00 -3.395128204e+00 -2.920129279e+00 -2.585377481e+00 2.02 -3.367546573e+00 -2.991307646e+00 -2.690878512e+00 2.04 -3.324480932e+00 -3.051268845e+00 -2.782666150e+00 2.06 -3.266690276e+00 -3.100524497e+00 -2.861765695e+00 2.08 -3.185953250e+00 -3.139817714e+00 -2.929135696e+00 2.10 -3.077312276e+00 -3.169204068e+00 -2.985672078e+00 2.12 -2.942988875e+00 -3.188415276e+00 -3.032212021e+00 2.14 -2.787078665e+00 -3.197876961e+00 -3.069537598e+00 2.16 -2.615510383e+00 -3.198770860e+00 -3.098379199e+00 2.18 -2.435853996e+00 -3.192980015e+00 -3.119418743e+00 2.20 -2.255580031e+00 -3.182905312e+00 -3.133292700e+00 2.22 -2.068514523e+00 -3.171112108e+00 -3.140594920e+00 2.24 -1.875193434e+00 -3.159760736e+00 -3.141879301e+00 2.26 -1.679793825e+00 -3.149804612e+00 -3.137662287e+00 2.28 -1.486976954e+00 -3.140084605e+00 -3.128425220e+00 2.30 -1.301764810e+00 -3.126807611e+00 -3.114616542e+00 2.32 -1.129347588e+00 -3.097824981e+00 -3.093270677e+00 2.34 -9.749268751e-01 -3.040700750e+00 -3.061078673e+00 2.36 -8.438928187e-01 -2.962205450e+00 -3.018081890e+00 2.38 -7.426252142e-01 -2.871271724e+00 -2.964527583e+00 2.40 -6.750219962e-01 -2.765607425e+00 -2.898752269e+00 2.42 -6.364291548e-01 -2.637301058e+00 -2.813964177e+00 2.44 -5.977672327e-01 -2.485751274e+00 -2.706424334e+00 2.46 -5.481898940e-01 -2.311144224e+00 -2.572949019e+00 2.48 -4.899042003e-01 -2.114316494e+00 -2.411043833e+00 2.50 -4.254519799e-01 -1.896986071e+00 -2.219242256e+00 2.52 -3.575997292e-01 -1.661989584e+00 -1.997471970e+00 2.54 -2.892171060e-01 -1.413523961e+00 -1.747481359e+00 2.56 -2.231482154e-01 -1.157389789e+00 -1.473374575e+00 2.58 -1.620811459e-01 -9.012269736e-01 -1.182309191e+00 2.60 -1.084223159e-01 -6.547114542e-01 -8.853752113e-01 2.62 -6.418290063e-02 -4.296217255e-01 -5.985314365e-01 2.64 -3.088469327e-02 -2.395442572e-01 -3.431186962e-01 2.66 -9.492047188e-03 -9.875041660e-02 -1.448237350e-01 2.68 -3.750028896e-04 -1.964404193e-02 -2.928462453e-02 2.70 0.000000000e+00 7.250710047e-14 1.069096997e-13 2.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 2.94 0.000000000e+00 0.000000000e+00 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0.000000000e+00 0.000000000e+00 3.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.70 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