# 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 = H3W # 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 2.105021124e+03 nan nan 0.82 1.889524851e+03 nan nan 0.84 1.696202504e+03 nan nan 0.86 1.522157238e+03 nan nan 0.88 1.364861336e+03 nan nan 0.90 1.222072398e+03 1.844106822e+03 2.103360200e+03 0.92 1.091770461e+03 1.670154453e+03 1.911756432e+03 0.94 9.720163772e+02 1.511021585e+03 1.737130910e+03 0.96 8.615417200e+02 1.365439952e+03 1.577690158e+03 0.98 7.595665395e+02 1.232277225e+03 1.431763629e+03 1.00 6.653289201e+02 1.110307614e+03 1.297782698e+03 1.02 5.804509189e+02 9.983957111e+02 1.174188313e+03 1.04 5.053333170e+02 8.953816760e+02 1.059792843e+03 1.06 4.389318273e+02 8.000628616e+02 9.537809484e+02 1.08 3.802852709e+02 7.113268687e+02 8.554283258e+02 1.10 3.285490516e+02 6.291522314e+02 7.641115269e+02 1.12 2.829935706e+02 5.552774814e+02 6.793048965e+02 1.14 2.429450696e+02 4.891357756e+02 6.020361589e+02 1.16 2.078755212e+02 4.299958915e+02 5.329510251e+02 1.18 1.773129625e+02 3.772200167e+02 4.712073472e+02 1.20 1.507778030e+02 3.301931880e+02 4.160839290e+02 1.22 1.278071490e+02 2.883448846e+02 3.668462943e+02 1.24 1.080045157e+02 2.511687646e+02 3.228367098e+02 1.26 9.100601755e+01 2.182470315e+02 2.835139240e+02 1.28 7.644859689e+01 1.891982652e+02 2.484141560e+02 1.30 6.399369916e+01 1.636423409e+02 2.170786825e+02 1.32 5.335306437e+01 1.411871861e+02 1.891231581e+02 1.34 4.428303998e+01 1.214537422e+02 1.642433911e+02 1.36 3.656504855e+01 1.041021110e+02 1.421737988e+02 1.38 2.998753164e+01 8.885463639e+01 1.226521415e+02 1.40 2.436794985e+01 7.550207774e+01 1.054334156e+02 1.42 1.956117255e+01 6.387399492e+01 9.029961945e+01 1.44 1.545339370e+01 5.380575323e+01 7.705019805e+01 1.46 1.196753826e+01 4.511655658e+01 6.549508998e+01 1.48 9.030050733e+00 3.763159651e+01 5.545769811e+01 1.50 6.563709160e+00 3.119006573e+01 4.676373745e+01 1.52 4.500234532e+00 2.564570973e+01 3.924451633e+01 1.54 2.789557700e+00 2.087358696e+01 3.274387622e+01 1.56 1.392528972e+00 1.676711959e+01 2.713887198e+01 1.58 2.713984831e-01 1.323664022e+01 2.232935673e+01 1.60 -6.111655549e-01 1.021274694e+01 1.822304684e+01 1.62 -1.288268005e+00 7.643348023e+00 1.473890136e+01 1.64 -1.793311201e+00 5.489920942e+00 1.180264288e+01 1.66 -2.157804729e+00 3.708676216e+00 9.334748028e+00 1.68 -2.410173762e+00 2.253900921e+00 7.260083875e+00 1.70 -2.576427378e+00 1.080981687e+00 5.511054782e+00 1.72 -2.685116980e+00 1.489440872e-01 4.027963163e+00 1.74 -2.761222154e+00 -5.808487800e-01 2.759561479e+00 1.76 -2.821420110e+00 -1.144983960e+00 1.664920152e+00 1.78 -2.872849645e+00 -1.576063269e+00 7.165020399e-01 1.80 -2.909719979e+00 -1.903452867e+00 -1.032293464e-01 1.82 -2.922593350e+00 -2.152206138e+00 -8.046444025e-01 1.84 -2.911819753e+00 -2.342120848e+00 -1.388036301e+00 1.86 -2.880799122e+00 -2.490522530e+00 -1.852209116e+00 1.88 -2.833067815e+00 -2.607030872e+00 -2.206073701e+00 1.90 -2.772336847e+00 -2.693829244e+00 -2.460046597e+00 1.92 -2.702434646e+00 -2.754085246e+00 -2.628030085e+00 1.94 -2.627234096e+00 -2.792030237e+00 -2.728797309e+00 1.96 -2.549094178e+00 -2.812648146e+00 -2.779013382e+00 1.98 -2.455473822e+00 -2.821721634e+00 -2.792204089e+00 2.00 -2.347859740e+00 -2.823541549e+00 -2.779557936e+00 2.02 -2.244882713e+00 -2.821198476e+00 -2.750808678e+00 2.04 -2.162091601e+00 -2.816416866e+00 -2.714309506e+00 2.06 -2.102620317e+00 -2.809131578e+00 -2.677020657e+00 2.08 -2.057931436e+00 -2.798649299e+00 -2.644434630e+00 2.10 -2.025411255e+00 -2.784960244e+00 -2.620447264e+00 2.12 -2.002913029e+00 -2.768215549e+00 -2.607166692e+00 2.14 -1.986130167e+00 -2.743453194e+00 -2.604649448e+00 2.16 -1.973227651e+00 -2.693877228e+00 -2.610620079e+00 2.18 -1.962634284e+00 -2.620947639e+00 -2.620341529e+00 2.20 -1.952776902e+00 -2.537043410e+00 -2.626456111e+00 2.22 -1.942578967e+00 -2.452862417e+00 -2.617838607e+00 2.24 -1.931467814e+00 -2.371549003e+00 -2.596265244e+00 2.26 -1.918820026e+00 -2.288238380e+00 -2.569554941e+00 2.28 -1.903266366e+00 -2.202909878e+00 -2.544708472e+00 2.30 -1.883476867e+00 -2.119669584e+00 -2.525170106e+00 2.32 -1.858578275e+00 -2.041133839e+00 -2.510360489e+00 2.34 -1.828076456e+00 -1.968966855e+00 -2.495834579e+00 2.36 -1.791934302e+00 -1.904222440e+00 -2.479391386e+00 2.38 -1.750475558e+00 -1.847507661e+00 -2.460334618e+00 2.40 -1.704267115e+00 -1.799015485e+00 -2.437572535e+00 2.42 -1.654069653e+00 -1.758459395e+00 -2.410072091e+00 2.44 -1.600791158e+00 -1.725054501e+00 -2.377040188e+00 2.46 -1.545451329e+00 -1.698269049e+00 -2.338024727e+00 2.48 -1.489142589e+00 -1.677519394e+00 -2.292954965e+00 2.50 -1.432998267e+00 -1.661635485e+00 -2.242140463e+00 2.52 -1.378156263e+00 -1.648711317e+00 -2.186241379e+00 2.54 -1.325729554e+00 -1.635986523e+00 -2.126217287e+00 2.56 -1.276799449e+00 -1.621366451e+00 -2.063265087e+00 2.58 -1.232373042e+00 -1.604730762e+00 -1.998747403e+00 2.60 -1.193037803e+00 -1.586178570e+00 -1.934116720e+00 2.62 -1.162260386e+00 -1.565841788e+00 -1.870838018e+00 2.64 -1.129291480e+00 -1.543873200e+00 -1.810310015e+00 2.66 -1.089780030e+00 -1.520432587e+00 -1.753788881e+00 2.68 -1.069385298e+00 -1.495801869e+00 -1.702310873e+00 2.70 -1.065106737e+00 -1.470425790e+00 -1.656616154e+00 2.72 -1.069795105e+00 -1.444828753e+00 -1.617064224e+00 2.74 -1.077575298e+00 -1.419569623e+00 -1.583579240e+00 2.76 -1.084142398e+00 -1.394991401e+00 -1.555593817e+00 2.78 -1.088961982e+00 -1.371315228e+00 -1.531982320e+00 2.80 -1.092033561e+00 -1.348684355e+00 -1.510995297e+00 2.82 -1.093371711e+00 -1.327103260e+00 -1.490678581e+00 2.84 -1.093004934e+00 -1.306319887e+00 -1.470626774e+00 2.86 -1.090974934e+00 -1.285725496e+00 -1.450907371e+00 2.88 -1.087335344e+00 -1.264611430e+00 -1.431580979e+00 2.90 -1.082150965e+00 -1.246237398e+00 -1.412696642e+00 2.92 -1.075496655e+00 -1.227251335e+00 -1.394260408e+00 2.94 -1.067455847e+00 -1.195900717e+00 -1.376270724e+00 2.96 -1.058113172e+00 -1.163943163e+00 -1.358734347e+00 2.98 -1.047553710e+00 -1.140081734e+00 -1.341653575e+00 3.00 -1.035865233e+00 -1.125125127e+00 -1.324999599e+00 3.02 -1.023137225e+00 -1.117136215e+00 -1.308675504e+00 3.04 -1.009459418e+00 -1.113513794e+00 -1.292458248e+00 3.06 -9.949206533e-01 -1.111502212e+00 -1.275890340e+00 3.08 -9.796116554e-01 -1.108834538e+00 -1.258004638e+00 3.10 -9.636348219e-01 -1.105132794e+00 -1.240898563e+00 3.12 -9.470958453e-01 -1.100438515e+00 -1.225001023e+00 3.14 -9.300995878e-01 -1.094797139e+00 -1.199551019e+00 3.16 -9.127493721e-01 -1.088257276e+00 -1.167593657e+00 3.18 -8.951462661e-01 -1.080869617e+00 -1.138375436e+00 3.20 -8.773876195e-01 -1.072686299e+00 -1.115246302e+00 3.22 -8.595669283e-01 -1.063759831e+00 -1.098228581e+00 3.24 -8.417719443e-01 -1.054142446e+00 -1.086065507e+00 3.26 -8.240845678e-01 -1.043885104e+00 -1.077116422e+00 3.28 -8.065793133e-01 -1.033036552e+00 -1.069624204e+00 3.30 -7.893225757e-01 -1.021640459e+00 -1.061838087e+00 3.32 -7.723720419e-01 -1.009732875e+00 -1.053030103e+00 3.34 -7.557748619e-01 -9.973438880e-01 -1.043246424e+00 3.36 -7.395675682e-01 -9.844964047e-01 -1.032552788e+00 3.38 -7.237745516e-01 -9.712057101e-01 -1.021017892e+00 3.40 -7.084075674e-01 -9.574782615e-01 -1.008712816e+00 3.42 -6.934642409e-01 -9.433111867e-01 -9.957106399e-01 3.44 -6.789273947e-01 -9.287161789e-01 -9.820857121e-01 3.46 -6.647642991e-01 -9.137483262e-01 -9.679131925e-01 3.48 -6.509252475e-01 -8.984681641e-01 -9.532686643e-01 3.50 -6.373427672e-01 -8.829356955e-01 -9.382273493e-01 3.52 -6.239307367e-01 -8.671925064e-01 -9.228638614e-01 3.54 -6.105901206e-01 -8.511572238e-01 -9.072513775e-01 3.56 -5.972859663e-01 -8.347193467e-01 -8.914613488e-01 3.58 -5.840327103e-01 -8.177996201e-01 -8.755629181e-01 3.60 -5.708463018e-01 -8.003474243e-01 -8.596222843e-01 3.62 -5.577421144e-01 -7.823384900e-01 -8.437020866e-01 3.64 -5.446620420e-01 -7.637725826e-01 -8.278611915e-01 3.66 -5.313244318e-01 -7.446707420e-01 -8.121538904e-01 3.68 -5.174526363e-01 -7.250730083e-01 -7.966293132e-01 3.70 -5.028275590e-01 -7.050357035e-01 -7.813310402e-01 3.72 -4.872834127e-01 -6.846292611e-01 -7.662965934e-01 3.74 -4.707044567e-01 -6.639357105e-01 -7.515567447e-01 3.76 -4.530222243e-01 -6.430378312e-01 -7.371348646e-01 3.78 -4.342115123e-01 -6.219635142e-01 -7.230468153e-01 3.80 -4.142859903e-01 -6.013798321e-01 -7.092998490e-01 3.82 -3.932852405e-01 -5.810531046e-01 -6.958925230e-01 3.84 -3.712853691e-01 -5.597026982e-01 -6.828136205e-01 3.86 -3.481559592e-01 -5.374878506e-01 -6.700422708e-01 3.88 -3.250132507e-01 -5.156918688e-01 -6.575469292e-01 3.90 -3.026306895e-01 -4.950815384e-01 -6.452849280e-01 3.92 -2.784812105e-01 -4.759190844e-01 -6.332018868e-01 3.94 -2.511235715e-01 -4.582100933e-01 -6.212310263e-01 3.96 -2.215009598e-01 -4.418437370e-01 -6.093033751e-01 3.98 -1.920728287e-01 -4.267037853e-01 -5.974053731e-01 4.00 -1.643533485e-01 -4.126675197e-01 -5.855479806e-01 4.02 -1.390498959e-01 -3.995932019e-01 -5.737425264e-01 4.04 -1.164116103e-01 -3.873284978e-01 -5.620002687e-01 4.06 -9.643653155e-02 -3.758141539e-01 -5.503163971e-01 4.08 -7.900183924e-02 -3.649486275e-01 -5.385348106e-01 4.10 -6.392580008e-02 -3.545683149e-01 -5.264381563e-01 4.12 -5.099361163e-02 -3.445098170e-01 -5.138455093e-01 4.14 -3.995407278e-02 -3.346077425e-01 -5.006122746e-01 4.16 -3.052167489e-02 -3.246903783e-01 -4.866268408e-01 4.18 -2.245040548e-02 -3.145772454e-01 -4.718101116e-01 4.20 -1.571861999e-02 -3.040754405e-01 -4.561131592e-01 4.22 -1.031886365e-02 -2.930092873e-01 -4.395139310e-01 4.24 -6.203830550e-03 -2.813421136e-01 -4.220131705e-01 4.26 -3.282743808e-03 -2.690956109e-01 -4.036434164e-01 4.28 -1.417785045e-03 -2.562968126e-01 -3.844452188e-01 4.30 -4.204768252e-04 -2.429226399e-01 -3.643839598e-01 4.32 -4.806768492e-05 -2.290517306e-01 -3.435775960e-01 4.34 9.272790868e-14 -2.153123664e-01 -3.229685496e-01 4.36 9.272790868e-14 -2.019799183e-01 -3.029698775e-01 4.38 9.272790868e-14 -1.877009592e-01 -2.815514388e-01 4.40 9.272790868e-14 -1.717263751e-01 -2.575895627e-01 4.42 9.272790868e-14 -1.542716542e-01 -2.314074813e-01 4.44 9.272790868e-14 -1.365294385e-01 -2.047941578e-01 4.46 9.272790868e-14 -1.194190915e-01 -1.791286373e-01 4.48 9.272790868e-14 -1.034390176e-01 -1.551585264e-01 4.50 9.272790868e-14 -8.881875387e-02 -1.332281308e-01 4.52 9.272790868e-14 -7.562952542e-02 -1.134442881e-01 4.54 9.272790868e-14 -6.385619665e-02 -9.578429497e-02 4.56 9.272790868e-14 -5.343514612e-02 -8.015271918e-02 4.58 9.272790868e-14 -4.427989122e-02 -6.641983683e-02 4.60 9.272790868e-14 -3.628915628e-02 -5.443373442e-02 4.62 9.272790868e-14 -2.934790056e-02 -4.402185084e-02 4.64 9.272790868e-14 -2.332649382e-02 -3.498974073e-02 4.66 9.272790868e-14 -1.808060082e-02 -2.712090123e-02 4.68 9.272790868e-14 -1.354540062e-02 -2.031810093e-02 4.70 9.272790868e-14 -9.725849476e-03 -1.458877421e-02 4.72 9.272790868e-14 -6.613963711e-03 -9.920945566e-03 4.74 9.272790868e-14 -4.184477021e-03 -6.276715532e-03 4.76 9.272790868e-14 -2.393430091e-03 -3.590145137e-03 4.78 9.272790868e-14 -1.176837427e-03 -1.765256141e-03 4.80 9.272790868e-14 -4.492790110e-04 -6.739185166e-04 4.82 9.272790868e-14 -1.025536284e-04 -1.538304427e-04 4.84 9.272790868e-14 -4.280583375e-06 -6.420875109e-06 4.86 9.272790868e-14 9.272790868e-14 9.272790868e-14 4.88 9.272790868e-14 9.272790868e-14 9.272790868e-14 4.90 9.272790868e-14 9.272790868e-14 9.272790868e-14 4.92 9.272790868e-14 9.272790868e-14 9.272790868e-14 4.94 9.272790868e-14 9.272790868e-14 9.272790868e-14 4.96 9.272790868e-14 9.272790868e-14 9.272790868e-14 4.98 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.00 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.02 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.04 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.06 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.08 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.10 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.12 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.14 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.16 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.18 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.20 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.22 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.24 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.26 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.28 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.30 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.32 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.34 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.36 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.38 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.40 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.42 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.44 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.46 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.48 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.50 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.52 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.54 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.56 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.58 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.60 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.62 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.64 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.66 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.68 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.70 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.72 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.74 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.76 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.78 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.80 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.82 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.84 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.86 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.88 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.90 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.92 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.94 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.96 9.272790868e-14 9.272790868e-14 9.272790868e-14 5.98 9.272790868e-14 9.272790868e-14 9.272790868e-14 6.00 9.272790868e-14 9.272790868e-14 9.272790868e-14