# 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 = HW3 # 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 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 2.641670319e+03 nan nan 0.82 2.344100736e+03 nan nan 0.84 2.082567013e+03 nan nan 0.86 1.852291351e+03 nan nan 0.88 1.649049380e+03 nan nan 0.90 1.469173121e+03 2.261937543e+03 2.611330011e+03 0.92 1.309666417e+03 2.028737876e+03 2.349043157e+03 0.94 1.167841634e+03 1.821080289e+03 2.114744794e+03 0.96 1.041442812e+03 1.635988054e+03 1.905092206e+03 0.98 9.286416848e+02 1.470847944e+03 1.717171018e+03 1.00 8.286617602e+02 1.323194082e+03 1.548543009e+03 1.02 7.402163090e+02 1.190944699e+03 1.396988345e+03 1.04 6.619565476e+02 1.072298613e+03 1.260569691e+03 1.06 5.926164044e+02 9.655162135e+02 1.137622952e+03 1.08 5.309896164e+02 8.694580445e+02 1.026633758e+03 1.10 4.760990401e+02 7.834627367e+02 9.263173023e+02 1.12 4.271665778e+02 7.065203221e+02 8.362155295e+02 1.14 3.835033377e+02 6.375592225e+02 7.554174033e+02 1.16 3.445441422e+02 5.756519551e+02 6.829101363e+02 1.18 3.097653726e+02 5.200180206e+02 6.179397210e+02 1.20 2.786776113e+02 4.700114582e+02 5.597644102e+02 1.22 2.508268409e+02 4.250981428e+02 5.075460886e+02 1.24 2.258383465e+02 3.847814901e+02 4.605509611e+02 1.26 2.033987483e+02 3.486120460e+02 4.181866293e+02 1.28 1.832096146e+02 3.161431448e+02 3.799600178e+02 1.30 1.649960239e+02 2.869437491e+02 3.453639032e+02 1.32 1.485435929e+02 2.605980569e+02 3.139691038e+02 1.34 1.336904923e+02 2.367429411e+02 2.854444964e+02 1.36 1.202820586e+02 2.150705090e+02 2.595229336e+02 1.38 1.081665270e+02 1.953269822e+02 2.359793855e+02 1.40 9.722212196e+01 1.773335150e+02 2.146262715e+02 1.42 8.733846828e+01 1.609581839e+02 1.952649171e+02 1.44 7.841011196e+01 1.460745472e+02 1.776978358e+02 1.46 7.034298536e+01 1.325432045e+02 1.617470024e+02 1.48 6.304754694e+01 1.202354747e+02 1.472486943e+02 1.50 5.644213215e+01 1.090231247e+02 1.340435381e+02 1.52 5.046318064e+01 9.878751262e+01 1.219902658e+02 1.54 4.505774896e+01 8.942327999e+01 1.109709652e+02 1.56 4.017875333e+01 8.084166686e+01 1.009066852e+02 1.58 3.577091660e+01 7.296668908e+01 9.172787950e+01 1.60 3.177478237e+01 6.574681176e+01 8.336013394e+01 1.62 2.814115765e+01 5.916519018e+01 7.574533187e+01 1.64 2.483102523e+01 5.321631910e+01 6.883054938e+01 1.66 2.182798272e+01 4.785739089e+01 6.254455717e+01 1.68 1.911980262e+01 4.303629488e+01 5.680921048e+01 1.70 1.667141785e+01 3.869974482e+01 5.154735108e+01 1.72 1.444963853e+01 3.479878972e+01 4.669464683e+01 1.74 1.242601396e+01 3.128398826e+01 4.219892365e+01 1.76 1.057766360e+01 2.810499033e+01 3.802185569e+01 1.78 8.888609447e+00 2.521123113e+01 3.414320941e+01 1.80 7.352992259e+00 2.255675501e+01 3.056230685e+01 1.82 5.970161264e+00 2.010282851e+01 2.727078755e+01 1.84 4.731373214e+00 1.781885971e+01 2.425650774e+01 1.86 3.624264323e+00 1.568428285e+01 2.151034414e+01 1.88 2.635957579e+00 1.369108422e+01 1.901392592e+01 1.90 1.753130147e+00 1.184398244e+01 1.674795138e+01 1.92 9.627514540e-01 1.014653155e+01 1.469297748e+01 1.94 2.529977179e-01 8.590622337e+00 1.282928981e+01 1.96 -3.874505453e-01 7.165903762e+00 1.113733896e+01 1.98 -9.691357814e-01 5.861128995e+00 9.599422582e+00 2.00 -1.501722965e+00 4.666298462e+00 8.198407856e+00 2.02 -1.993132341e+00 3.572517509e+00 6.918114167e+00 2.04 -2.449086693e+00 2.572269206e+00 5.744081599e+00 2.06 -2.873572927e+00 1.659834438e+00 4.662682264e+00 2.08 -3.268735457e+00 8.302450440e-01 3.661676182e+00 2.10 -3.634814134e+00 7.773814988e-02 2.730730690e+00 2.12 -3.970242296e+00 -6.037290657e-01 1.861681726e+00 2.14 -4.273093518e+00 -1.218538205e+00 1.049197420e+00 2.16 -4.544701221e+00 -1.769356646e+00 2.913901540e-01 2.18 -4.786907083e+00 -2.259447187e+00 -4.101276906e-01 2.20 -5.001518943e+00 -2.692819352e+00 -1.053102176e+00 2.22 -5.190709893e+00 -3.074195759e+00 -1.640223202e+00 2.24 -5.356953741e+00 -3.408879283e+00 -2.177300832e+00 2.26 -5.502026507e+00 -3.702102662e+00 -2.668439656e+00 2.28 -5.624902614e+00 -3.959213477e+00 -3.116508258e+00 2.30 -5.718390591e+00 -4.185824095e+00 -3.523965001e+00 2.32 -5.776852855e+00 -4.387743168e+00 -3.893418622e+00 2.34 -5.801856008e+00 -4.570607241e+00 -4.227204120e+00 2.36 -5.799353379e+00 -4.738384016e+00 -4.526886549e+00 2.38 -5.777455513e+00 -4.893968840e+00 -4.792611460e+00 2.40 -5.744310911e+00 -5.039436842e+00 -5.024781073e+00 2.42 -5.706079651e+00 -5.175272011e+00 -5.224291165e+00 2.44 -5.667446570e+00 -5.300998044e+00 -5.392507250e+00 2.46 -5.631482087e+00 -5.416652168e+00 -5.531246518e+00 2.48 -5.599374786e+00 -5.521552220e+00 -5.642750694e+00 2.50 -5.570262362e+00 -5.615131550e+00 -5.729661795e+00 2.52 -5.541570532e+00 -5.694095686e+00 -5.794996159e+00 2.54 -5.508744097e+00 -5.752631604e+00 -5.842115092e+00 2.56 -5.469476013e+00 -5.789422105e+00 -5.874694884e+00 2.58 -5.423576719e+00 -5.807530822e+00 -5.894795946e+00 2.60 -5.372187792e+00 -5.811143547e+00 -5.899779436e+00 2.62 -5.317081199e+00 -5.804360490e+00 -5.889292018e+00 2.64 -5.259505499e+00 -5.790527234e+00 -5.865532987e+00 2.66 -5.200183170e+00 -5.771825908e+00 -5.831833246e+00 2.68 -5.139306111e+00 -5.749108274e+00 -5.791738299e+00 2.70 -5.076495986e+00 -5.722374010e+00 -5.748530391e+00 2.72 -5.011583213e+00 -5.692853005e+00 -5.705428210e+00 2.74 -4.944991727e+00 -5.661703586e+00 -5.665115867e+00 2.76 -4.877130770e+00 -5.628866982e+00 -5.629274297e+00 2.78 -4.808312471e+00 -5.593191940e+00 -5.597928975e+00 2.80 -4.738579158e+00 -5.553042906e+00 -5.568989570e+00 2.82 -4.668025476e+00 -5.508261162e+00 -5.539976159e+00 2.84 -4.596828204e+00 -5.459046423e+00 -5.509896327e+00 2.86 -4.525230002e+00 -5.405809852e+00 -5.478117370e+00 2.88 -4.453516523e+00 -5.349490148e+00 -5.443848361e+00 2.90 -4.381999110e+00 -5.291256526e+00 -5.406649790e+00 2.92 -4.310992080e+00 -5.232226311e+00 -5.367773270e+00 2.94 -4.240790963e+00 -5.173427339e+00 -5.328691020e+00 2.96 -4.171653594e+00 -5.115755862e+00 -5.290637615e+00 2.98 -4.103775000e+00 -5.059914881e+00 -5.254538297e+00 3.00 -4.037260397e+00 -5.006348451e+00 -5.220931183e+00 3.02 -3.972103253e+00 -4.955177766e+00 -5.189885933e+00 3.04 -3.908157189e+00 -4.906135468e+00 -5.160917592e+00 3.06 -3.845114877e+00 -4.858496005e+00 -5.132895560e+00 3.08 -3.782479609e+00 -4.811025732e+00 -5.103978782e+00 3.10 -3.719546794e+00 -4.761963836e+00 -5.071592056e+00 3.12 -3.655751167e+00 -4.709918986e+00 -5.033776383e+00 3.14 -3.591121317e+00 -4.655056599e+00 -4.990972929e+00 3.16 -3.525753728e+00 -4.597706077e+00 -4.943904590e+00 3.18 -3.459742002e+00 -4.538168581e+00 -4.893064580e+00 3.20 -3.393177262e+00 -4.476719896e+00 -4.838809722e+00 3.22 -3.326149593e+00 -4.413612829e+00 -4.781466967e+00 3.24 -3.258749495e+00 -4.349080029e+00 -4.721333013e+00 3.26 -3.191069024e+00 -4.283336572e+00 -4.658678038e+00 3.28 -3.123199977e+00 -4.216580002e+00 -4.593740962e+00 3.30 -3.055227746e+00 -4.148974650e+00 -4.526714323e+00 3.32 -2.987221670e+00 -4.080640960e+00 -4.457821128e+00 3.34 -2.919252453e+00 -4.011682187e+00 -4.387332822e+00 3.36 -2.851389089e+00 -3.942183042e+00 -4.315504699e+00 3.38 -2.783706982e+00 -3.872213210e+00 -4.242577053e+00 3.40 -2.716281365e+00 -3.801825487e+00 -4.168774705e+00 3.42 -2.649190972e+00 -3.731057664e+00 -4.094308725e+00 3.44 -2.582519654e+00 -3.659955393e+00 -4.019375131e+00 3.46 -2.516353177e+00 -3.588603367e+00 -3.944155761e+00 3.48 -2.450783716e+00 -3.517088592e+00 -3.868819443e+00 3.50 -2.385902280e+00 -3.445493173e+00 -3.793520404e+00 3.52 -2.321806018e+00 -3.373879741e+00 -3.718400590e+00 3.54 -2.258598751e+00 -3.302185724e+00 -3.643587309e+00 3.56 -2.196468840e+00 -3.230319074e+00 -3.569195576e+00 3.58 -2.135672822e+00 -3.158219701e+00 -3.495327336e+00 3.60 -2.076486315e+00 -3.085856833e+00 -3.422071341e+00 3.62 -2.019198983e+00 -3.013227321e+00 -3.349502237e+00 3.64 -1.964036317e+00 -2.940355491e+00 -3.277683058e+00 3.66 -1.910847744e+00 -2.867289975e+00 -3.206663467e+00 3.68 -1.859295081e+00 -2.794102152e+00 -3.136479384e+00 3.70 -1.809041681e+00 -2.720884441e+00 -3.067154273e+00 3.72 -1.759748054e+00 -2.647749508e+00 -2.998698966e+00 3.74 -1.711060629e+00 -2.574827410e+00 -2.931111273e+00 3.76 -1.662607171e+00 -2.502262364e+00 -2.864374912e+00 3.78 -1.613982563e+00 -2.430213650e+00 -2.798462618e+00 3.80 -1.564735260e+00 -2.358850192e+00 -2.733332550e+00 3.82 -1.514531257e+00 -2.288349757e+00 -2.668931469e+00 3.84 -1.463394962e+00 -2.218895223e+00 -2.605191301e+00 3.86 -1.411426781e+00 -2.150671270e+00 -2.542033610e+00 3.88 -1.358750216e+00 -2.083795796e+00 -2.479366593e+00 3.90 -1.305510038e+00 -2.018299704e+00 -2.417086255e+00 3.92 -1.251867326e+00 -1.954180115e+00 -2.355075759e+00 3.94 -1.197997424e+00 -1.891401113e+00 -2.293205409e+00 3.96 -1.143992870e+00 -1.829893105e+00 -2.231347030e+00 3.98 -1.090881650e+00 -1.769587082e+00 -2.169427524e+00 4.00 -1.037569142e+00 -1.710383691e+00 -2.107400333e+00 4.02 -9.827594687e-01 -1.652131688e+00 -2.045224241e+00 4.04 -9.283492711e-01 -1.594633555e+00 -1.982861922e+00 4.06 -8.759474331e-01 -1.537787521e+00 -1.920263453e+00 4.08 -8.259984501e-01 -1.481470825e+00 -1.857236399e+00 4.10 -7.784817812e-01 -1.425503305e+00 -1.793533301e+00 4.12 -7.331773039e-01 -1.369709659e+00 -1.728949742e+00 4.14 -6.898693972e-01 -1.313921548e+00 -1.663329536e+00 4.16 -6.482024288e-01 -1.257967846e+00 -1.596555466e+00 4.18 -6.080574748e-01 -1.201680860e+00 -1.528559898e+00 4.20 -5.687936436e-01 -1.144889473e+00 -1.459313894e+00 4.22 -5.305988789e-01 -1.087446148e+00 -1.388825831e+00 4.24 -4.954860967e-01 -1.029347848e+00 -1.317152786e+00 4.26 -4.652276742e-01 -9.706814206e-01 -1.244386669e+00 4.28 -4.383653336e-01 -9.115143363e-01 -1.170655287e+00 4.30 -4.090907460e-01 -8.516303018e-01 -1.096134915e+00 4.32 -3.741859289e-01 -7.912823655e-01 -1.021030888e+00 4.34 -3.326188779e-01 -7.334237686e-01 -9.455942871e-01 4.36 -2.865201395e-01 -6.791685079e-01 -8.700518038e-01 4.38 -2.399643788e-01 -6.213383610e-01 -7.938545426e-01 4.40 -1.957249715e-01 -5.569432261e-01 -7.195120839e-01 4.42 -1.554792480e-01 -4.898261952e-01 -6.546717508e-01 4.44 -1.201165942e-01 -4.199332497e-01 -5.859873120e-01 4.46 -8.998618786e-02 -3.460683572e-01 -5.004993885e-01 4.48 -6.505716165e-02 -2.732604340e-01 -4.038024518e-01 4.50 -4.504265025e-02 -2.084428496e-01 -3.112492805e-01 4.52 -2.951788004e-02 -1.545584437e-01 -2.317336619e-01 4.54 -1.798478152e-02 -1.120135460e-01 -1.681218377e-01 4.56 -9.890740512e-03 -7.989565639e-02 -1.199041935e-01 4.58 -4.658199609e-03 -5.672431594e-02 -8.510427288e-02 4.60 -1.687116981e-03 -4.079136813e-02 -6.118971131e-02 4.62 -3.533837252e-04 -3.029040443e-02 -4.543572971e-02 4.64 -1.097779671e-05 -2.335576809e-02 -3.503365226e-02 4.66 1.842311026e-13 -1.808060082e-02 -2.712090123e-02 4.68 1.842311026e-13 -1.354540062e-02 -2.031810093e-02 4.70 1.842311026e-13 -9.725849476e-03 -1.458877421e-02 4.72 1.842311026e-13 -6.613963710e-03 -9.920945566e-03 4.74 1.842311026e-13 -4.184477021e-03 -6.276715532e-03 4.76 1.842311026e-13 -2.393430091e-03 -3.590145137e-03 4.78 1.842311026e-13 -1.176837427e-03 -1.765256141e-03 4.80 1.842311026e-13 -4.492790109e-04 -6.739185165e-04 4.82 1.842311026e-13 -1.025536283e-04 -1.538304426e-04 4.84 1.842311026e-13 -4.280583284e-06 -6.420875017e-06 4.86 1.842311026e-13 1.842311026e-13 1.842311026e-13 4.88 1.842311026e-13 1.842311026e-13 1.842311026e-13 4.90 1.842311026e-13 1.842311026e-13 1.842311026e-13 4.92 1.842311026e-13 1.842311026e-13 1.842311026e-13 4.94 1.842311026e-13 1.842311026e-13 1.842311026e-13 4.96 1.842311026e-13 1.842311026e-13 1.842311026e-13 4.98 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.00 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.02 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.04 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.06 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.08 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.10 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.12 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.14 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.16 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.18 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.20 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.22 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.24 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.26 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.28 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.30 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.32 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.34 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.36 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.38 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.40 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.42 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.44 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.46 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.48 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.50 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.52 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.54 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.56 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.58 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.60 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.62 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.64 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.66 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.68 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.70 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.72 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.74 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.76 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.78 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.80 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.82 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.84 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.86 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.88 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.90 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.92 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.94 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.96 1.842311026e-13 1.842311026e-13 1.842311026e-13 5.98 1.842311026e-13 1.842311026e-13 1.842311026e-13 6.00 1.842311026e-13 1.842311026e-13 1.842311026e-13