# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Tirumala-A-S-Shattock-O-Mason-D-R-et-al--W-H-He # implementation = 2026--Tirumala-A-S--W-H-He--LAMMPS--ipr1 # composition = HeW2 # 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 2026-06-16 r C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 1.577640531e+03 0.82 1.397128124e+03 0.84 1.239508589e+03 0.86 1.101504061e+03 0.88 9.803758843e+02 0.90 8.738753887e+02 0.92 7.801390093e+02 0.94 6.973936593e+02 0.96 6.241912601e+02 0.98 5.592867514e+02 1.00 5.016179088e+02 1.02 4.502742378e+02 1.04 4.044280430e+02 1.06 3.634013081e+02 1.08 3.266360839e+02 1.10 2.937301853e+02 1.12 2.643641073e+02 1.14 2.381337927e+02 1.16 2.146389262e+02 1.18 1.935325898e+02 1.20 1.745770491e+02 1.22 1.576160295e+02 1.24 1.424389387e+02 1.26 1.288292670e+02 1.28 1.165797239e+02 1.30 1.055036520e+02 1.32 9.545410536e+01 1.34 8.632537079e+01 1.36 7.804456420e+01 1.38 7.054073212e+01 1.40 6.373721392e+01 1.42 5.756739873e+01 1.44 5.196784904e+01 1.46 4.687748913e+01 1.48 4.224045051e+01 1.50 3.800898351e+01 1.52 3.414588316e+01 1.54 3.062616826e+01 1.56 2.743877359e+01 1.58 2.456013073e+01 1.60 2.195371547e+01 1.62 1.959044657e+01 1.64 1.744435380e+01 1.66 1.549162358e+01 1.68 1.370936703e+01 1.70 1.207657883e+01 1.72 1.057965837e+01 1.74 9.210429306e+00 1.76 7.970574694e+00 1.78 6.867399753e+00 1.80 5.892719576e+00 1.82 5.019395281e+00 1.84 4.218945212e+00 1.86 3.470463935e+00 1.88 2.765527484e+00 1.90 2.108171161e+00 1.92 1.503884824e+00 1.94 9.467941718e-01 1.96 4.311497798e-01 1.98 -4.729421134e-02 2.00 -4.917868067e-01 2.02 -9.046844057e-01 2.04 -1.287549649e+00 2.06 -1.641399323e+00 2.08 -1.966542236e+00 2.10 -2.262313896e+00 2.12 -2.525605132e+00 2.14 -2.739913910e+00 2.16 -2.885721981e+00 2.18 -2.954561712e+00 2.20 -2.959062932e+00 2.22 -2.926727464e+00 2.24 -2.881189536e+00 2.26 -2.836529522e+00 2.28 -2.799590944e+00 2.30 -2.772162275e+00 2.32 -2.752190577e+00 2.34 -2.736613239e+00 2.36 -2.726552272e+00 2.38 -2.722866501e+00 2.40 -2.724995176e+00 2.42 -2.730282168e+00 2.44 -2.735089910e+00 2.46 -2.737602498e+00 2.48 -2.737738609e+00 2.50 -2.735774213e+00 2.52 -2.732205027e+00 2.54 -2.727638800e+00 2.56 -2.722756280e+00 2.58 -2.718242748e+00 2.60 -2.714547419e+00 2.62 -2.711738689e+00 2.64 -2.709368951e+00 2.66 -2.706333865e+00 2.68 -2.700734939e+00 2.70 -2.690517260e+00 2.72 -2.676213037e+00 2.74 -2.659104851e+00 2.76 -2.639855917e+00 2.78 -2.618810015e+00 2.80 -2.596220921e+00 2.82 -2.572252143e+00 2.84 -2.546966844e+00 2.86 -2.520318710e+00 2.88 -2.492444676e+00 2.90 -2.463644053e+00 2.92 -2.434185035e+00 2.94 -2.404296104e+00 2.96 -2.374168980e+00 2.98 -2.343956615e+00 3.00 -2.313772379e+00 3.02 -2.283690136e+00 3.04 -2.253741085e+00 3.06 -2.223910851e+00 3.08 -2.194136199e+00 3.10 -2.164302314e+00 3.12 -2.134238387e+00 3.14 -2.103714706e+00 3.16 -2.072447616e+00 3.18 -2.040102465e+00 3.20 -2.006316517e+00 3.22 -1.970727935e+00 3.24 -1.933022883e+00 3.26 -1.892981456e+00 3.28 -1.850520131e+00 3.30 -1.805705384e+00 3.32 -1.758738032e+00 3.34 -1.709919937e+00 3.36 -1.659602472e+00 3.38 -1.608152565e+00 3.40 -1.555923371e+00 3.42 -1.503239879e+00 3.44 -1.450393699e+00 3.46 -1.397648921e+00 3.48 -1.345265339e+00 3.50 -1.293494725e+00 3.52 -1.242559309e+00 3.54 -1.192658569e+00 3.56 -1.143968290e+00 3.58 -1.096647302e+00 3.60 -1.050839611e+00 3.62 -1.006679409e+00 3.64 -9.642901022e-01 3.66 -9.237900133e-01 3.68 -8.852909705e-01 3.70 -8.489010816e-01 3.72 -8.147262086e-01 3.74 -7.828669466e-01 3.76 -7.534196040e-01 3.78 -7.264756660e-01 3.80 -7.021204090e-01 3.82 -6.804261465e-01 3.84 -6.614586452e-01 3.86 -6.452655182e-01 3.88 -6.317894805e-01 3.90 -6.208473247e-01 3.92 -6.122027332e-01 3.94 -6.055723150e-01 3.96 -6.006186036e-01 3.98 -5.969559692e-01 4.00 -5.941414629e-01 4.02 -5.916749218e-01 4.04 -5.890276445e-01 4.06 -5.859172047e-01 4.08 -5.822314705e-01 4.10 -5.778658407e-01 4.12 -5.727224309e-01 4.14 -5.666985343e-01 4.16 -5.596978341e-01 4.18 -5.516473300e-01 4.20 -5.424936081e-01 4.22 -5.321549026e-01 4.24 -5.205999621e-01 4.26 -5.078617283e-01 4.28 -4.939773841e-01 4.30 -4.784352579e-01 4.32 -4.616002477e-01 4.34 -4.442292211e-01 4.36 -4.269735229e-01 4.38 -4.106828896e-01 4.40 -3.954231133e-01 4.42 -3.789586350e-01 4.44 -3.596269593e-01 4.46 -3.364482478e-01 4.48 -3.090468610e-01 4.50 -2.778614040e-01 4.52 -2.447825827e-01 4.54 -2.115187556e-01 4.56 -1.793447297e-01 4.58 -1.491564774e-01 4.60 -1.215614641e-01 4.62 -9.691132156e-02 4.64 -7.537084759e-02 4.66 -5.696367222e-02 4.68 -4.160466711e-02 4.70 -2.913130482e-02 4.72 -1.933322250e-02 4.74 -1.194816770e-02 4.76 -6.677969532e-03 4.78 -3.211041044e-03 4.80 -1.203136186e-03 4.82 -2.661623503e-04 4.84 -1.211607448e-05 4.86 1.533217907e-13 4.88 1.533217907e-13 4.90 1.533217907e-13 4.92 1.533217907e-13 4.94 1.533217907e-13 4.96 1.533217907e-13 4.98 1.533217907e-13 5.00 1.533217907e-13 5.02 1.533217907e-13 5.04 1.533217907e-13 5.06 1.533217907e-13 5.08 1.533217907e-13 5.10 1.533217907e-13 5.12 1.533217907e-13 5.14 1.533217907e-13 5.16 1.533217907e-13 5.18 1.533217907e-13 5.20 1.533217907e-13 5.22 1.533217907e-13 5.24 1.533217907e-13 5.26 1.533217907e-13 5.28 1.533217907e-13 5.30 1.533217907e-13 5.32 1.533217907e-13 5.34 1.533217907e-13 5.36 1.533217907e-13 5.38 1.533217907e-13 5.40 1.533217907e-13 5.42 1.533217907e-13 5.44 1.533217907e-13 5.46 1.533217907e-13 5.48 1.533217907e-13 5.50 1.533217907e-13 5.52 1.533217907e-13 5.54 1.533217907e-13 5.56 1.533217907e-13 5.58 1.533217907e-13 5.60 1.533217907e-13 5.62 1.533217907e-13 5.64 1.533217907e-13 5.66 1.533217907e-13 5.68 1.533217907e-13 5.70 1.533217907e-13 5.72 1.533217907e-13 5.74 1.533217907e-13 5.76 1.533217907e-13 5.78 1.533217907e-13 5.80 1.533217907e-13 5.82 1.533217907e-13 5.84 1.533217907e-13 5.86 1.533217907e-13 5.88 1.533217907e-13 5.90 1.533217907e-13 5.92 1.533217907e-13 5.94 1.533217907e-13 5.96 1.533217907e-13 5.98 1.533217907e-13 6.00 1.533217907e-13