# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Shim-J-H-Ko-W-S-Kim-K-H-et-al--V-Ni-H # implementation = 2013--Shim-J-H--V-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 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 1.832468602e+02 nan nan 0.92 1.698402755e+02 nan nan 0.94 1.573177673e+02 nan nan 0.96 1.456252878e+02 nan nan 0.98 1.347118558e+02 1.634562684e+02 nan 1.00 1.245294018e+02 1.521025282e+02 nan 1.02 1.150326178e+02 1.414576819e+02 1.766948924e+02 1.04 1.061788129e+02 1.314807516e+02 1.654714493e+02 1.06 9.792777487e+01 1.221329211e+02 1.548567179e+02 1.08 9.024163658e+01 1.133774384e+02 1.448235008e+02 1.10 8.308474972e+01 1.051795219e+02 1.353453325e+02 1.12 7.642356331e+01 9.750626931e+01 1.263965131e+02 1.14 7.022650867e+01 9.032656933e+01 1.179521358e+02 1.16 6.446388966e+01 8.361101610e+01 1.099881074e+02 1.18 5.910777872e+01 7.733182680e+01 1.024811621e+02 1.20 5.413191815e+01 7.146276204e+01 9.540886967e+01 1.22 4.951162651e+01 6.597904922e+01 8.874963681e+01 1.24 4.522371005e+01 6.085730882e+01 8.248270457e+01 1.26 4.124637874e+01 5.607548358e+01 7.658814043e+01 1.28 3.755916690e+01 5.161277055e+01 7.104682662e+01 1.30 3.414285798e+01 4.744955598e+01 6.584044524e+01 1.32 3.097941356e+01 4.356735300e+01 6.095146046e+01 1.34 2.805190594e+01 3.994874209e+01 5.636309874e+01 1.36 2.534445470e+01 3.657731415e+01 5.205932733e+01 1.38 2.284216638e+01 3.343761622e+01 4.802483164e+01 1.40 2.053107764e+01 3.051509975e+01 4.424499189e+01 1.42 1.839810140e+01 2.779607133e+01 4.070585944e+01 1.44 1.643097596e+01 2.526764579e+01 3.739413292e+01 1.46 1.461821683e+01 2.291770165e+01 3.429713469e+01 1.48 1.294907120e+01 2.073483870e+01 3.140278756e+01 1.50 1.141347493e+01 1.870833782e+01 2.869959199e+01 1.52 1.000201179e+01 1.682812278e+01 2.617660397e+01 1.54 8.705875033e+00 1.508472401e+01 2.382341346e+01 1.56 7.516830956e+00 1.346924432e+01 2.163012347e+01 1.58 6.427184609e+00 1.197332631e+01 1.958732995e+01 1.60 5.429747247e+00 1.058912158e+01 1.768610219e+01 1.62 4.517805681e+00 9.309261549e+00 1.591796390e+01 1.64 3.685093292e+00 8.126829836e+00 1.427487489e+01 1.66 2.925762662e+00 7.035336132e+00 1.274921335e+01 1.68 2.234359759e+00 6.028691485e+00 1.133375857e+01 1.70 1.605799550e+00 5.101184936e+00 1.002167423e+01 1.72 1.035343021e+00 4.247461408e+00 8.806492112e+00 1.74 5.185754808e-01 3.462500854e+00 7.682096297e+00 1.76 5.138613672e-02 2.741598524e+00 6.642707762e+00 1.78 -3.700511944e-01 2.080346320e+00 5.682869380e+00 1.80 -7.492962071e-01 1.474615230e+00 4.797431385e+00 1.82 -1.089659220e+00 9.205386958e-01 3.981537168e+00 1.84 -1.394217250e+00 4.144969449e-01 3.230609526e+00 1.86 -1.665829153e+00 -4.689779471e-02 2.540337316e+00 1.88 -1.907149866e+00 -4.668152695e-01 1.906662473e+00 1.90 -2.120643790e+00 -8.482203508e-01 1.325767492e+00 1.92 -2.308597371e+00 -1.193885451e+00 7.940633020e-01 1.94 -2.473130923e+00 -1.506402238e+00 3.081775400e-01 1.96 -2.616209724e+00 -1.788192654e+00 -1.350567075e-01 1.98 -2.739654430e+00 -2.041519321e+00 -5.386117820e-01 2.00 -2.845150861e+00 -2.268495342e+00 -9.052758948e-01 2.02 -2.934259149e+00 -2.471093514e+00 -1.237663126e+00 2.04 -3.008422350e+00 -2.651155036e+00 -1.538223042e+00 2.06 -3.068974481e+00 -2.810397685e+00 -1.809249869e+00 2.08 -3.117148071e+00 -2.950423516e+00 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-3.481287713e+00 -3.519579240e+00 2.46 -2.775078109e+00 -3.450031943e+00 -3.507703441e+00 2.48 -2.727852761e+00 -3.415879129e+00 -3.490920356e+00 2.50 -2.679945418e+00 -3.379162643e+00 -3.469709721e+00 2.52 -2.631533537e+00 -3.340189782e+00 -3.444515588e+00 2.54 -2.582777419e+00 -3.299243565e+00 -3.415748711e+00 2.56 -2.533821584e+00 -3.256584426e+00 -3.383788783e+00 2.58 -2.484796056e+00 -3.212451778e+00 -3.348986524e+00 2.60 -2.435817538e+00 -3.167065498e+00 -3.311665658e+00 2.62 -2.386990515e+00 -3.120627300e+00 -3.272124744e+00 2.64 -2.338408260e+00 -3.073322027e+00 -3.230638911e+00 2.66 -2.290153780e+00 -3.025318852e+00 -3.187461470e+00 2.68 -2.242300673e+00 -2.976772404e+00 -3.142825426e+00 2.70 -2.194913937e+00 -2.927823821e+00 -3.096944900e+00 2.72 -2.148050707e+00 -2.878601731e+00 -3.050016448e+00 2.74 -2.101760937e+00 -2.829223164e+00 -3.002220308e+00 2.76 -2.056088029e+00 -2.779794411e+00 -2.953721553e+00 2.78 -2.011069416e+00 -2.730411817e+00 -2.904671177e+00 2.80 -1.966737099e+00 -2.681162528e+00 -2.855207108e+00 2.82 -1.923118136e+00 -2.632125182e+00 -2.805455153e+00 2.84 -1.880235097e+00 -2.583370552e+00 -2.755529880e+00 2.86 -1.838106486e+00 -2.534962151e+00 -2.705535444e+00 2.88 -1.796747120e+00 -2.486956791e+00 -2.655566358e+00 2.90 -1.756168483e+00 -2.439405100e+00 -2.605708205e+00 2.92 -1.716379053e+00 -2.392352014e+00 -2.556038313e+00 2.94 -1.677384599e+00 -2.345837220e+00 -2.506626374e+00 2.96 -1.639188450e+00 -2.299895581e+00 -2.457535030e+00 2.98 -1.601791753e+00 -2.254557522e+00 -2.408820408e+00 3.00 -1.565193692e+00 -2.209849393e+00 -2.360532633e+00 3.02 -1.529391705e+00 -2.165793804e+00 -2.312716288e+00 3.04 -1.494381676e+00 -2.122409938e+00 -2.265410856e+00 3.06 -1.460158105e+00 -2.079713839e+00 -2.218651125e+00 3.08 -1.426714273e+00 -2.037718680e+00 -2.172467565e+00 3.10 -1.394042385e+00 -1.996435013e+00 -2.126886679e+00 3.12 -1.362133703e+00 -1.955870996e+00 -2.081931330e+00 3.14 -1.330978671e+00 -1.916032608e+00 -2.037621039e+00 3.16 -1.300567019e+00 -1.876923845e+00 -1.993972272e+00 3.18 -1.270887868e+00 -1.838546905e+00 -1.950998696e+00 3.20 -1.241929817e+00 -1.800902350e+00 -1.908711423e+00 3.22 -1.213681029e+00 -1.763989270e+00 -1.867119231e+00 3.24 -1.186129302e+00 -1.727805417e+00 -1.826228773e+00 3.26 -1.159262137e+00 -1.692347347e+00 -1.786044770e+00 3.28 -1.133066801e+00 -1.657610534e+00 -1.746570185e+00 3.30 -1.107530378e+00 -1.623589485e+00 -1.707806389e+00 3.32 -1.082639821e+00 -1.590277847e+00 -1.669753315e+00 3.34 -1.058381994e+00 -1.557668495e+00 -1.632409593e+00 3.36 -1.034743714e+00 -1.525753627e+00 -1.595772682e+00 3.38 -1.011711783e+00 -1.494524836e+00 -1.559838991e+00 3.40 -9.892730211e-01 -1.463973192e+00 -1.524603984e+00 3.42 -9.674142947e-01 -1.434089302e+00 -1.490062285e+00 3.44 -9.461225405e-01 -1.404863377e+00 -1.456207770e+00 3.46 -9.253847877e-01 -1.376285285e+00 -1.423033652e+00 3.48 -9.051881765e-01 -1.348344603e+00 -1.390535835e+00 3.50 -8.855199756e-01 -1.321030667e+00 -1.358787058e+00 3.52 -8.663675960e-01 -1.294332611e+00 -1.327971061e+00 3.54 -8.477186043e-01 -1.268239406e+00 -1.297726626e+00 3.56 -8.295607328e-01 -1.242739899e+00 -1.267824101e+00 3.58 -8.118818890e-01 -1.217822843e+00 -1.238551345e+00 3.60 -7.946701633e-01 -1.193476924e+00 -1.209898806e+00 3.62 -7.779138355e-01 -1.169690789e+00 -1.181856738e+00 3.64 -7.616013796e-01 -1.146453073e+00 -1.154415245e+00 3.66 -7.457214683e-01 -1.123752413e+00 -1.127564313e+00 3.68 -7.302629762e-01 -1.101577476e+00 -1.101293839e+00 3.70 -7.152149817e-01 -1.079916967e+00 -1.075593664e+00 3.72 -7.005667692e-01 -1.058759652e+00 -1.050453596e+00 3.74 -6.863078295e-01 -1.038094368e+00 -1.025863434e+00 3.76 -6.724278605e-01 -1.017910036e+00 -1.001812990e+00 3.78 -6.589167665e-01 -9.981956724e-01 -9.782921067e-01 3.80 -6.457646578e-01 -9.789403977e-01 -9.552906736e-01 3.82 -6.329618498e-01 -9.601334452e-01 -9.327986442e-01 3.84 -6.204988609e-01 -9.417641690e-01 -9.108060480e-01 3.86 -6.083664114e-01 -9.238220500e-01 -8.893030024e-01 3.88 -5.965554209e-01 -9.062967015e-01 -8.682797235e-01 3.90 -5.850570063e-01 -8.891778746e-01 -8.477265347e-01 3.92 -5.738624795e-01 -8.724554620e-01 -8.276338752e-01 3.94 -5.629633442e-01 -8.561195019e-01 -8.079923067e-01 3.96 -5.523512937e-01 -8.401601809e-01 -7.887925193e-01 3.98 -5.420182077e-01 -8.245678367e-01 -7.700253362e-01 4.00 -5.319561494e-01 -8.093329606e-01 -7.516817186e-01 4.02 -5.215519829e-01 -7.944461987e-01 -7.337527685e-01 4.04 -5.010665568e-01 -7.798983542e-01 -7.162297318e-01 4.06 -4.279980277e-01 -7.656803882e-01 -6.991040005e-01 4.08 -2.999893155e-01 -7.517834207e-01 -6.823671142e-01 4.10 -2.908505287e-01 -7.381987319e-01 -6.660107613e-01 4.12 -2.839002940e-01 -7.249177623e-01 -6.500267796e-01 4.14 -2.771191448e-01 -7.119321138e-01 -6.344071569e-01 4.16 -2.705028035e-01 -6.992335497e-01 -6.191440304e-01 4.18 -2.640471086e-01 -6.868139953e-01 -6.042296869e-01 4.20 -2.577480110e-01 -6.746655384e-01 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