# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Ko-W-S-Shim-J-H-Lee-B-J--Ni-H # implementation = 2011--Ko-W-S--Ni-H--LAMMPS--ipr1 # composition = HNi3 # 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 2.857061957e+02 nan nan 0.80 2.656677756e+02 nan nan 0.82 2.469113346e+02 nan nan 0.84 2.293609442e+02 2.667245878e+02 nan 0.86 2.129447494e+02 2.490581467e+02 2.918632931e+02 0.88 1.975947962e+02 2.324566294e+02 2.747194390e+02 0.90 1.832468602e+02 2.168610056e+02 2.584221230e+02 0.92 1.698402755e+02 2.022151534e+02 2.429402176e+02 0.94 1.573177674e+02 1.884657461e+02 2.282428626e+02 0.96 1.456252878e+02 1.755621406e+02 2.142995333e+02 0.98 1.347118558e+02 1.634562684e+02 2.010801083e+02 1.00 1.245294018e+02 1.521025282e+02 1.885549350e+02 1.02 1.150326178e+02 1.414576819e+02 1.766948924e+02 1.04 1.061788129e+02 1.314807516e+02 1.654714493e+02 1.06 9.792777486e+01 1.221329211e+02 1.548567179e+02 1.08 9.024163658e+01 1.133774384e+02 1.448235008e+02 1.10 8.308474971e+01 1.051795219e+02 1.353453325e+02 1.12 7.642356332e+01 9.750626932e+01 1.263965131e+02 1.14 7.022650867e+01 9.032656934e+01 1.179521358e+02 1.16 6.446388966e+01 8.361101611e+01 1.099881074e+02 1.18 5.910777873e+01 7.733182680e+01 1.024811622e+02 1.20 5.413191816e+01 7.146276204e+01 9.540886967e+01 1.22 4.951162652e+01 6.597904922e+01 8.874963681e+01 1.24 4.522371006e+01 6.085730882e+01 8.248270457e+01 1.26 4.124637875e+01 5.607548359e+01 7.658814043e+01 1.28 3.755916690e+01 5.161277056e+01 7.104682663e+01 1.30 3.414285799e+01 4.744955598e+01 6.584044524e+01 1.32 3.097941355e+01 4.356735300e+01 6.095146046e+01 1.34 2.805190594e+01 3.994874210e+01 5.636309874e+01 1.36 2.534445470e+01 3.657731416e+01 5.205932733e+01 1.38 2.284216638e+01 3.343761622e+01 4.802483164e+01 1.40 2.053107764e+01 3.051509975e+01 4.424499190e+01 1.42 1.839810140e+01 2.779607133e+01 4.070585944e+01 1.44 1.643097596e+01 2.526764580e+01 3.739413292e+01 1.46 1.461821683e+01 2.291770165e+01 3.429713470e+01 1.48 1.294907121e+01 2.073483870e+01 3.140278756e+01 1.50 1.141347493e+01 1.870833782e+01 2.869959199e+01 1.52 1.000201180e+01 1.682812278e+01 2.617660398e+01 1.54 8.705875032e+00 1.508472402e+01 2.382341346e+01 1.56 7.516830959e+00 1.346924432e+01 2.163012347e+01 1.58 6.427184610e+00 1.197332631e+01 1.958732996e+01 1.60 5.429747247e+00 1.058912158e+01 1.768610219e+01 1.62 4.517805683e+00 9.309261551e+00 1.591796390e+01 1.64 3.685093292e+00 8.126829837e+00 1.427487489e+01 1.66 2.925762664e+00 7.035336133e+00 1.274921335e+01 1.68 2.234359759e+00 6.028691488e+00 1.133375858e+01 1.70 1.605799550e+00 5.101184936e+00 1.002167423e+01 1.72 1.035343021e+00 4.247461409e+00 8.806492114e+00 1.74 5.185754820e-01 3.462500856e+00 7.682096299e+00 1.76 5.138613675e-02 2.741598525e+00 6.642707762e+00 1.78 -3.700511935e-01 2.080346321e+00 5.682869381e+00 1.80 -7.492962063e-01 1.474615231e+00 4.797431386e+00 1.82 -1.089659220e+00 9.205386952e-01 3.981537167e+00 1.84 -1.394217249e+00 4.144969468e-01 3.230609529e+00 1.86 -1.665829153e+00 -4.689779409e-02 2.540337317e+00 1.88 -1.907149866e+00 -4.668152691e-01 1.906662474e+00 1.90 -2.120643789e+00 -8.482203496e-01 1.325767494e+00 1.92 -2.308597371e+00 -1.193885451e+00 7.940633015e-01 1.94 -2.473130922e+00 -1.506402237e+00 3.081775413e-01 1.96 -2.616209723e+00 -1.788192654e+00 -1.350567066e-01 1.98 -2.739654430e+00 -2.041519321e+00 -5.386117820e-01 2.00 -2.845150860e+00 -2.268495341e+00 -9.052758939e-01 2.02 -2.934259149e+00 -2.471093513e+00 -1.237663125e+00 2.04 -3.008422350e+00 -2.651155036e+00 -1.538223042e+00 2.06 -3.068974481e+00 -2.810397684e+00 -1.809249867e+00 2.08 -3.117148070e+00 -2.950423516e+00 -2.052891261e+00 2.10 -3.154081215e+00 -3.072726122e+00 -2.271156688e+00 2.12 -3.180824189e+00 -3.178697447e+00 -2.465925400e+00 2.14 -3.198345623e+00 -3.269634215e+00 -2.638954030e+00 2.16 -3.207538283e+00 -3.346743954e+00 -2.791883807e+00 2.18 -3.209224477e+00 -3.411150687e+00 -2.926247422e+00 2.20 -3.204161092e+00 -3.463900257e+00 -3.043475524e+00 2.22 -3.193044316e+00 -3.505965350e+00 -3.144902894e+00 2.24 -3.176514028e+00 -3.538250205e+00 -3.231774279e+00 2.26 -3.155157909e+00 -3.561595045e+00 -3.305249922e+00 2.28 -3.129515274e+00 -3.576780233e+00 -3.366410779e+00 2.30 -3.100080654e+00 -3.584530182e+00 -3.416263459e+00 2.32 -3.067306986e+00 -3.585517017e+00 -3.455744879e+00 2.34 -3.031608923e+00 -3.580364019e+00 -3.485726658e+00 2.36 -2.993365625e+00 -3.569648853e+00 -3.507019264e+00 2.38 -2.952923408e+00 -3.553906597e+00 -3.520375913e+00 2.40 -2.910598272e+00 -3.533632585e+00 -3.526496248e+00 2.42 -2.866678216e+00 -3.509285067e+00 -3.526029800e+00 2.44 -2.821425398e+00 -3.481287713e+00 -3.519579239e+00 2.46 -2.775078140e+00 -3.450031943e+00 -3.507703440e+00 2.48 -2.727852788e+00 -3.415879129e+00 -3.490920356e+00 2.50 -2.679945442e+00 -3.379162643e+00 -3.469709721e+00 2.52 -2.631533558e+00 -3.340189782e+00 -3.444515588e+00 2.54 -2.582777437e+00 -3.299243565e+00 -3.415748711e+00 2.56 -2.533821600e+00 -3.256584425e+00 -3.383788782e+00 2.58 -2.484796069e+00 -3.212451778e+00 -3.348986524e+00 2.60 -2.435817550e+00 -3.167065498e+00 -3.311665658e+00 2.62 -2.386990525e+00 -3.120627300e+00 -3.272124744e+00 2.64 -2.338408270e+00 -3.073322027e+00 -3.230638911e+00 2.66 -2.290153788e+00 -3.025318852e+00 -3.187461470e+00 2.68 -2.242300680e+00 -2.976772404e+00 -3.142825426e+00 2.70 -2.194913943e+00 -2.927823821e+00 -3.096944900e+00 2.72 -2.148050713e+00 -2.878601731e+00 -3.050016448e+00 2.74 -2.101760942e+00 -2.829223164e+00 -3.002220308e+00 2.76 -2.056088033e+00 -2.779794411e+00 -2.953721556e+00 2.78 -2.011069420e+00 -2.730411817e+00 -2.904692583e+00 2.80 -1.966737103e+00 -2.681162528e+00 -2.855466958e+00 2.82 -1.923118139e+00 -2.632125182e+00 -2.806363589e+00 2.84 -1.880235100e+00 -2.583370552e+00 -2.756603471e+00 2.86 -1.838106488e+00 -2.534962151e+00 -2.706602913e+00 2.88 -1.796747120e+00 -2.486956791e+00 -2.656627292e+00 2.90 -1.756168483e+00 -2.439405100e+00 -2.606762223e+00 2.92 -1.716379053e+00 -2.392352014e+00 -2.557085058e+00 2.94 -1.677384599e+00 -2.345837220e+00 -2.507665518e+00 2.96 -1.639188450e+00 -2.299895581e+00 -2.458566266e+00 2.98 -1.601791753e+00 -2.254557522e+00 -2.409843453e+00 3.00 -1.565193692e+00 -2.209849393e+00 -2.361547225e+00 3.02 -1.529391705e+00 -2.165793804e+00 -2.313722185e+00 3.04 -1.494381676e+00 -2.122409938e+00 -2.266407835e+00 3.06 -1.460158105e+00 -2.079713839e+00 -2.219638980e+00 3.08 -1.426714273e+00 -2.037718680e+00 -2.173446109e+00 3.10 -1.394042385e+00 -1.996435013e+00 -2.127855738e+00 3.12 -1.362133703e+00 -1.955870996e+00 -2.082890746e+00 3.14 -1.330978671e+00 -1.916032608e+00 -2.038570670e+00 3.16 -1.300567019e+00 -1.876923845e+00 -1.994911987e+00 3.18 -1.270887868e+00 -1.838546905e+00 -1.951928378e+00 3.20 -1.241673181e+00 -1.800902350e+00 -1.909630966e+00 3.22 -1.205781750e+00 -1.763989270e+00 -1.868028542e+00 3.24 -1.112906632e+00 -1.727805417e+00 -1.827127769e+00 3.26 -8.496909202e-01 -1.692347347e+00 -1.786933377e+00 3.28 -7.941775270e-01 -1.657610534e+00 -1.747448341e+00 3.30 -7.747273792e-01 -1.623589485e+00 -1.708674040e+00 3.32 -7.557581922e-01 -1.590277847e+00 -1.670610416e+00 3.34 -7.372593221e-01 -1.557668495e+00 -1.633256106e+00 3.36 -7.192201442e-01 -1.525753627e+00 -1.596608580e+00 3.38 -7.016300838e-01 -1.494524852e+00 -1.560664251e+00 3.40 -6.844786427e-01 -1.464099467e+00 -1.525418592e+00 3.42 -6.677554220e-01 -1.435803790e+00 -1.490866234e+00 3.44 -6.514501422e-01 -1.410989586e+00 -1.457001059e+00 3.46 -6.355526589e-01 -1.379758934e+00 -1.423816287e+00 3.48 -6.200529774e-01 -1.353061533e+00 -1.391304552e+00 3.50 -6.050602357e-01 -1.328171331e+00 -1.359457976e+00 3.52 -5.963265145e-01 -1.303739413e+00 -1.328268237e+00 3.54 -6.121171886e-01 -1.279757856e+00 -1.297726626e+00 3.56 -6.300481589e-01 -1.256218653e+00 -1.267824101e+00 3.58 -5.419246992e-01 -1.233113754e+00 -1.238551345e+00 3.60 -5.301682140e-01 -1.210435084e+00 -1.209898806e+00 3.62 -5.186693732e-01 -1.188174577e+00 -1.181856738e+00 3.64 -5.074224201e-01 -1.166324189e+00 -1.154415245e+00 3.66 -4.964217073e-01 -1.144875929e+00 -1.127564313e+00 3.68 -4.856616984e-01 -1.123821868e+00 -1.101293839e+00 3.70 -4.751369691e-01 -1.103154162e+00 -1.075593664e+00 3.72 -4.648422083e-01 -1.082865061e+00 -1.050453596e+00 3.74 -4.547722177e-01 -1.062946927e+00 -1.025863434e+00 3.76 -4.449219119e-01 -1.043392241e+00 -1.001812990e+00 3.78 -4.352863181e-01 -1.024193613e+00 -9.782921067e-01 3.80 -4.258605748e-01 -1.005343792e+00 -9.552906736e-01 3.82 -4.166399312e-01 -9.868356720e-01 -9.327986442e-01 3.84 -4.076197459e-01 -9.686622965e-01 -9.108060480e-01 3.86 -3.987954851e-01 -9.508168636e-01 -8.893030024e-01 3.88 -3.901627213e-01 -9.332927295e-01 -8.682797235e-01 3.90 -3.817171314e-01 -9.160834105e-01 -8.477265347e-01 3.92 -3.726485261e-01 -8.982578988e-01 -8.272031063e-01 3.94 -3.527650418e-01 -8.674788685e-01 -8.006332011e-01 3.96 -2.953223070e-01 -7.798543699e-01 -7.376580553e-01 3.98 -1.638236140e-01 -5.080202348e-01 -5.080939797e-01 4.00 -1.713795955e-22 -3.398648170e-22 -3.752925021e-22 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 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 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 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 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00