# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2014--Bonny-G-Grigorev-P-Terentyev-D--W-H-He-2 # implementation = 2014--Bonny-G--W-H-He-2--LAMMPS--ipr1 # composition = H3He # 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 3.816805710e+01 nan nan 0.88 3.411800034e+01 nan nan 0.90 3.040023647e+01 nan nan 0.92 2.699520252e+01 nan nan 0.94 2.388763669e+01 nan nan 0.96 2.106141383e+01 nan nan 0.98 1.849871715e+01 3.047162724e+01 3.564268063e+01 1.00 1.618184639e+01 2.743171588e+01 3.209424407e+01 1.02 1.409329380e+01 2.463565750e+01 2.885303940e+01 1.04 1.221593164e+01 2.206262039e+01 2.589784244e+01 1.06 1.053366346e+01 1.969268998e+01 2.320756125e+01 1.08 9.033217095e+00 1.751043322e+01 2.076002291e+01 1.10 7.701912847e+00 1.550292305e+01 1.853205214e+01 1.12 6.526813040e+00 1.365806016e+01 1.650039590e+01 1.14 5.495589328e+00 1.196774711e+01 1.464145109e+01 1.16 4.596908990e+00 1.042528621e+01 1.293607132e+01 1.18 3.819549086e+00 9.023778347e+00 1.137305427e+01 1.20 3.152338297e+00 7.756167500e+00 9.944737764e+00 1.22 2.583876125e+00 6.615412238e+00 8.643805125e+00 1.24 2.102330879e+00 5.594528775e+00 7.462949433e+00 1.26 1.695321485e+00 4.686865860e+00 6.394945372e+00 1.28 1.350426903e+00 3.885792957e+00 5.432618156e+00 1.30 1.055244116e+00 3.184461579e+00 4.569442440e+00 1.32 7.979853572e-01 2.575241611e+00 3.799888682e+00 1.34 5.729449501e-01 2.049637254e+00 3.118509596e+00 1.36 3.781800588e-01 1.598880483e+00 2.519860760e+00 1.38 2.118579433e-01 1.214095014e+00 1.998512447e+00 1.40 7.214709014e-02 8.866049322e-01 1.549039619e+00 1.42 -4.297703433e-02 6.103859202e-01 1.166017957e+00 1.44 -1.356648993e-01 3.809045540e-01 8.440837742e-01 1.46 -2.080691368e-01 1.936439882e-01 5.779218739e-01 1.48 -2.623423788e-01 4.408737740e-02 3.618442428e-01 1.50 -3.006372572e-01 -7.228212395e-02 1.899764236e-01 1.52 -3.250974064e-01 -1.599804768e-01 5.621159625e-02 1.54 -3.378304702e-01 -2.235201036e-01 -4.561240625e-02 1.56 -3.409350946e-01 -2.674125425e-01 -1.216408747e-01 1.58 -3.365099259e-01 -2.961686464e-01 -1.780370867e-01 1.60 -3.266536104e-01 -3.142912580e-01 -2.210024577e-01 1.62 -3.132157623e-01 -3.256380268e-01 -2.557832637e-01 1.64 -2.970232594e-01 -3.315065186e-01 -2.837857866e-01 1.66 -2.786133279e-01 -3.325542968e-01 -3.054563043e-01 1.68 -2.584916438e-01 -3.294389252e-01 -3.212410959e-01 1.70 -2.371849073e-01 -3.228179677e-01 -3.315864403e-01 1.72 -2.152306473e-01 -3.133489884e-01 -3.369386164e-01 1.74 -1.931663638e-01 -3.016855049e-01 -3.377437949e-01 1.76 -1.715262568e-01 -2.883213587e-01 -3.344438756e-01 1.78 -1.508402116e-01 -2.735415739e-01 -3.274751726e-01 1.80 -1.316189752e-01 -2.576170783e-01 -3.172736230e-01 1.82 -1.140508819e-01 -2.408187997e-01 -3.042751638e-01 1.84 -9.806781327e-02 -2.234176366e-01 -2.889157322e-01 1.86 -8.359694034e-02 -2.056699338e-01 -2.716312652e-01 1.88 -7.056543411e-02 -1.877939880e-01 -2.528577000e-01 1.90 -5.890046560e-02 -1.700019545e-01 -2.330309737e-01 1.92 -4.852920582e-02 -1.525074692e-01 -2.125870232e-01 1.94 -3.937882581e-02 -1.355376182e-01 -1.919617858e-01 1.96 -3.137649657e-02 -1.193266603e-01 -1.715911985e-01 1.98 -2.444938912e-02 -1.041089211e-01 -1.519111984e-01 2.00 -1.852467449e-02 -9.011872694e-02 -1.333577235e-01 2.02 -1.352813459e-02 -7.753459559e-02 -1.162829990e-01 2.04 -9.379995105e-03 -6.631182399e-02 -1.007044189e-01 2.06 -5.999092584e-03 -5.634990052e-02 -8.655566413e-02 2.08 -3.304263600e-03 -4.754831418e-02 -7.377041684e-02 2.10 -1.214344721e-03 -3.980655397e-02 -6.228235901e-02 2.12 3.518274835e-04 -3.302410888e-02 -5.202517266e-02 2.14 1.475416444e-03 -2.710046790e-02 -4.292994801e-02 2.16 2.237585591e-03 -2.193512003e-02 -3.491513115e-02 2.18 2.719498355e-03 -1.743063252e-02 -2.789531814e-02 2.20 3.002318183e-03 -1.351665056e-02 -2.178510405e-02 2.22 3.166008459e-03 -1.014008385e-02 -1.650388423e-02 2.24 3.285630709e-03 -7.260761759e-03 -1.199025364e-02 2.26 3.412467087e-03 -4.841713824e-03 -8.187607481e-03 2.28 3.546939704e-03 -2.845969539e-03 -5.039340900e-03 2.30 3.682513543e-03 -1.236558400e-03 -2.488849046e-03 2.32 3.812653587e-03 2.349009881e-05 -4.795270650e-04 2.34 3.930824822e-03 9.711464615e-04 1.045229897e-03 2.36 4.030492229e-03 1.643381193e-03 2.142026693e-03 2.38 4.105120792e-03 2.077164799e-03 2.867468176e-03 2.40 4.148175496e-03 2.309467784e-03 3.278159201e-03 2.42 4.153121323e-03 2.377260653e-03 3.430704621e-03 2.44 4.113423257e-03 2.317513910e-03 3.381709288e-03 2.46 4.022877777e-03 2.167198060e-03 3.187778058e-03 2.48 3.882064516e-03 1.963283609e-03 2.905515782e-03 2.50 3.697909424e-03 1.742741093e-03 2.591527362e-03 2.52 3.477582455e-03 1.536140922e-03 2.292817511e-03 2.54 3.228253565e-03 1.348453696e-03 2.017991222e-03 2.56 2.957092710e-03 1.178249887e-03 1.766053303e-03 2.58 2.671269845e-03 1.024100001e-03 1.536008606e-03 2.60 2.377954926e-03 8.845746570e-04 1.326861986e-03 2.62 2.084317906e-03 7.584121966e-04 1.137618295e-03 2.64 1.797528743e-03 6.448549250e-04 9.672823875e-04 2.66 1.524757391e-03 5.432394113e-04 8.148591169e-04 2.68 1.273173806e-03 4.529022244e-04 6.793533366e-04 2.70 1.049068370e-03 3.731799334e-04 5.597699002e-04 2.72 8.529314392e-04 3.034091074e-04 4.551136610e-04 2.74 6.829046545e-04 2.429263152e-04 3.643894728e-04 2.76 5.371230054e-04 1.910681259e-04 2.866021889e-04 2.78 4.137214816e-04 1.471711086e-04 2.207566629e-04 2.80 3.108350726e-04 1.105718321e-04 1.658577482e-04 2.82 2.265987679e-04 8.060686562e-05 1.209102984e-04 2.84 1.591475572e-04 5.661277805e-05 8.491916708e-05 2.86 1.066164299e-04 3.792613842e-05 5.688920763e-05 2.88 6.714037568e-05 2.388351574e-05 3.582527361e-05 2.90 3.885438407e-05 1.382147902e-05 2.073221853e-05 2.92 1.989344465e-05 7.076597257e-06 1.061489588e-05 2.94 8.392546960e-06 2.985439468e-06 4.478159201e-06 2.96 2.486680582e-06 8.845746574e-07 1.326861986e-06 2.98 3.108350733e-07 1.105718324e-07 1.658577486e-07 3.00 -5.633193392e-14 -2.003868189e-14 -3.005802283e-14 3.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.16 0.000000000e+00 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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 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.90 0.000000000e+00 0.000000000e+00 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