# 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 = HeW3 # 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 2.187831928e+03 nan nan 0.82 1.939892091e+03 nan nan 0.84 1.722665218e+03 nan nan 0.86 1.532120828e+03 nan nan 0.88 1.364703308e+03 nan nan 0.90 1.217262194e+03 1.867697691e+03 2.150912179e+03 0.92 1.087269216e+03 1.674946030e+03 1.931599078e+03 0.94 9.725907827e+02 1.504064038e+03 1.737010026e+03 0.96 8.712023425e+02 1.352352522e+03 1.564086127e+03 0.98 7.812359543e+02 1.217428391e+03 1.410092715e+03 1.00 7.011786341e+02 1.097194454e+03 1.272757056e+03 1.02 6.299066882e+02 9.898146829e+02 1.150020070e+03 1.04 5.664479941e+02 8.937811203e+02 1.040162017e+03 1.06 5.098781974e+02 8.078152862e+02 9.417433869e+02 1.08 4.593354605e+02 7.307214581e+02 8.534845597e+02 1.10 4.140913872e+02 6.615321955e+02 7.742069951e+02 1.12 3.735741868e+02 5.994814672e+02 7.028425461e+02 1.14 3.372970970e+02 5.437898168e+02 6.384515557e+02 1.16 3.048110372e+02 4.936939245e+02 5.802641789e+02 1.18 2.756758451e+02 4.485048274e+02 5.277120121e+02 1.20 2.495106449e+02 4.076743382e+02 4.802909462e+02 1.22 2.259669957e+02 3.708008039e+02 4.374479062e+02 1.24 2.047228653e+02 3.375248088e+02 3.986602153e+02 1.26 1.855151571e+02 3.074881000e+02 3.634895150e+02 1.28 1.681270520e+02 2.803114189e+02 3.316018215e+02 1.30 1.523675388e+02 2.556509517e+02 3.026845172e+02 1.32 1.380692498e+02 2.332164276e+02 2.764339886e+02 1.34 1.251024529e+02 2.127901525e+02 2.525640024e+02 1.36 1.133487640e+02 1.942095860e+02 2.308277820e+02 1.38 1.027216492e+02 1.773141162e+02 2.110320656e+02 1.40 9.317030249e+01 1.619438246e+02 1.930366601e+02 1.42 8.458309537e+01 1.479554484e+02 1.766893321e+02 1.44 7.681600605e+01 1.352152835e+02 1.618210595e+02 1.46 6.975554136e+01 1.236010770e+02 1.482750344e+02 1.48 6.331529860e+01 1.130078564e+02 1.359059331e+02 1.50 5.743154453e+01 1.033305558e+02 1.245824517e+02 1.52 5.205790766e+01 9.447344410e+01 1.141997405e+02 1.54 4.714748526e+01 8.635277183e+01 1.046801207e+02 1.56 4.265836605e+01 7.890073314e+01 9.597351966e+01 1.58 3.854395899e+01 7.205290515e+01 8.802031298e+01 1.60 3.475534650e+01 6.575367966e+01 8.074417183e+01 1.62 3.125545785e+01 5.997469052e+01 7.408219227e+01 1.64 2.802065793e+01 5.469540850e+01 6.797865949e+01 1.66 2.504898233e+01 4.986930110e+01 6.237379504e+01 1.68 2.234098240e+01 4.544800355e+01 5.720569512e+01 1.70 1.987315305e+01 4.138721336e+01 5.241522119e+01 1.72 1.762282128e+01 3.765206744e+01 4.795756426e+01 1.74 1.557121143e+01 3.421335524e+01 4.380101924e+01 1.76 1.370288200e+01 3.105023999e+01 3.992789024e+01 1.78 1.200319733e+01 2.815691073e+01 3.633333254e+01 1.80 1.045744407e+01 2.553050362e+01 3.301782820e+01 1.82 9.050835397e+00 2.313122384e+01 2.996791553e+01 1.84 7.768977846e+00 2.091103002e+01 2.715801493e+01 1.86 6.598309591e+00 1.883834154e+01 2.456606768e+01 1.88 5.526186406e+00 1.689703367e+01 2.217237604e+01 1.90 4.540742416e+00 1.508455570e+01 1.995935364e+01 1.92 3.631396104e+00 1.340107789e+01 1.791149181e+01 1.94 2.789917469e+00 1.183472976e+01 1.601515788e+01 1.96 2.009442407e+00 1.037442614e+01 1.425912076e+01 1.98 1.285111506e+00 9.011391888e+00 1.263680255e+01 2.00 6.134307648e-01 7.738548146e+00 1.114500492e+01 2.02 -7.503782219e-03 6.550460470e+00 9.780769977e+00 2.04 -5.779178913e-01 5.443484348e+00 8.535350502e+00 2.06 -1.099031113e+00 4.416321298e+00 7.393227964e+00 2.08 -1.573228588e+00 3.472461922e+00 6.337904625e+00 2.10 -2.002647570e+00 2.624947541e+00 5.355168464e+00 2.12 -2.389507247e+00 1.890361533e+00 4.435062064e+00 2.14 -2.736008617e+00 1.258882252e+00 3.570609922e+00 2.16 -3.044449053e+00 7.041663642e-01 2.757214805e+00 2.18 -3.317254712e+00 2.078080542e-01 1.992737819e+00 2.20 -3.556980191e+00 -2.413549627e-01 1.277977804e+00 2.22 -3.762606625e+00 -6.510724130e-01 6.119366573e-01 2.24 -3.930974301e+00 -1.027661450e+00 -9.092559675e-03 2.26 -4.063517343e+00 -1.376081472e+00 -5.865373503e-01 2.28 -4.163090920e+00 -1.700444788e+00 -1.119379385e+00 2.30 -4.233162987e+00 -2.004358697e+00 -1.603742337e+00 2.32 -4.278631886e+00 -2.290995888e+00 -2.033113915e+00 2.34 -4.305158199e+00 -2.562924404e+00 -2.403316537e+00 2.36 -4.319014867e+00 -2.821369620e+00 -2.718671702e+00 2.38 -4.326643783e+00 -3.066706789e+00 -2.988468937e+00 2.40 -4.333631357e+00 -3.298370816e+00 -3.221029079e+00 2.42 -4.343345088e+00 -3.511354534e+00 -3.422513044e+00 2.44 -4.357788949e+00 -3.698540216e+00 -3.597612900e+00 2.46 -4.377611063e+00 -3.857850512e+00 -3.750195153e+00 2.48 -4.401858444e+00 -3.991098938e+00 -3.883631339e+00 2.50 -4.427765967e+00 -4.101512611e+00 -3.998572409e+00 2.52 -4.451029854e+00 -4.192882340e+00 -4.093099898e+00 2.54 -4.465692994e+00 -4.269011022e+00 -4.168437241e+00 2.56 -4.469619133e+00 -4.333424103e+00 -4.228011753e+00 2.58 -4.463841986e+00 -4.389189986e+00 -4.276204727e+00 2.60 -4.449302988e+00 -4.438663208e+00 -4.316569954e+00 2.62 -4.427397201e+00 -4.483371832e+00 -4.351486172e+00 2.64 -4.399492294e+00 -4.523959804e+00 -4.382569044e+00 2.66 -4.366788140e+00 -4.560149956e+00 -4.410591989e+00 2.68 -4.330328826e+00 -4.590725081e+00 -4.435471212e+00 2.70 -4.290954647e+00 -4.614092477e+00 -4.456549295e+00 2.72 -4.249323469e+00 -4.630421958e+00 -4.474372797e+00 2.74 -4.205988240e+00 -4.640769118e+00 -4.489921082e+00 2.76 -4.161358586e+00 -4.646234326e+00 -4.503808971e+00 2.78 -4.115564733e+00 -4.647200049e+00 -4.515805424e+00 2.80 -4.068345839e+00 -4.643288799e+00 -4.524496325e+00 2.82 -4.019345056e+00 -4.634255680e+00 -4.528634956e+00 2.84 -3.968093847e+00 -4.620053107e+00 -4.527318969e+00 2.86 -3.913960776e+00 -4.600775677e+00 -4.520268924e+00 2.88 -3.856161922e+00 -4.576998912e+00 -4.508563897e+00 2.90 -3.793909781e+00 -4.549636530e+00 -4.493609978e+00 2.92 -3.726728570e+00 -4.519571507e+00 -4.476837547e+00 2.94 -3.654785470e+00 -4.487559061e+00 -4.459605793e+00 2.96 -3.578954298e+00 -4.454139299e+00 -4.443113631e+00 2.98 -3.500529102e+00 -4.419547738e+00 -4.428302765e+00 3.00 -3.420825640e+00 -4.383642651e+00 -4.415762749e+00 3.02 -3.340915085e+00 -4.345874428e+00 -4.405633025e+00 3.04 -3.261513004e+00 -4.305366172e+00 -4.397500689e+00 3.06 -3.182971076e+00 -4.261061615e+00 -4.390298303e+00 3.08 -3.105291285e+00 -4.211844054e+00 -4.382198012e+00 3.10 -3.028156330e+00 -4.156516206e+00 -4.370512373e+00 3.12 -2.951349231e+00 -4.094586072e+00 -4.353089991e+00 3.14 -2.875190761e+00 -4.027232741e+00 -4.330094406e+00 3.16 -2.799998494e+00 -3.955730623e+00 -4.301859840e+00 3.18 -2.726027858e+00 -3.881172578e+00 -4.268353318e+00 3.20 -2.653481355e+00 -3.804458470e+00 -4.229256822e+00 3.22 -2.582518915e+00 -3.726319032e+00 -4.184107149e+00 3.24 -2.513263904e+00 -3.647346339e+00 -4.132406902e+00 3.26 -2.445810863e+00 -3.568024719e+00 -4.073829708e+00 3.28 -2.380227101e+00 -3.488752399e+00 -4.008430273e+00 3.30 -2.316552456e+00 -3.409841718e+00 -3.936712860e+00 3.32 -2.254791979e+00 -3.331522306e+00 -3.859595639e+00 3.34 -2.194937835e+00 -3.253979215e+00 -3.778213410e+00 3.36 -2.136967591e+00 -3.177359032e+00 -3.693663915e+00 3.38 -2.080855153e+00 -3.101779754e+00 -3.606913271e+00 3.40 -2.026566864e+00 -3.027333818e+00 -3.518772234e+00 3.42 -1.974069378e+00 -2.954094061e+00 -3.429911834e+00 3.44 -1.923330809e+00 -2.882115761e+00 -3.340888343e+00 3.46 -1.874321686e+00 -2.811442220e+00 -3.252169990e+00 3.48 -1.827022789e+00 -2.742125404e+00 -3.164184130e+00 3.50 -1.781418019e+00 -2.674216890e+00 -3.077318168e+00 3.52 -1.737506247e+00 -2.607749238e+00 -2.991898491e+00 3.54 -1.695297030e+00 -2.542737248e+00 -2.908197480e+00 3.56 -1.654812053e+00 -2.479180535e+00 -2.826439492e+00 3.58 -1.616088309e+00 -2.417066862e+00 -2.746805835e+00 3.60 -1.579176857e+00 -2.356372782e+00 -2.669439113e+00 3.62 -1.544141058e+00 -2.297067252e+00 -2.594445700e+00 3.64 -1.511057051e+00 -2.239112954e+00 -2.521900356e+00 3.66 -1.479850901e+00 -2.182470466e+00 -2.451848667e+00 3.68 -1.450263058e+00 -2.127096868e+00 -2.384307060e+00 3.70 -1.421987778e+00 -2.072951533e+00 -2.319268346e+00 3.72 -1.394673677e+00 -2.019996282e+00 -2.256701967e+00 3.74 -1.367923475e+00 -1.968198166e+00 -2.196555802e+00 3.76 -1.341294770e+00 -1.917529018e+00 -2.138756602e+00 3.78 -1.314297133e+00 -1.867971481e+00 -2.083215644e+00 3.80 -1.286387443e+00 -1.819516694e+00 -2.029825905e+00 3.82 -1.257131173e+00 -1.772167028e+00 -1.978465661e+00 3.84 -1.226426743e+00 -1.725937950e+00 -1.928999577e+00 3.86 -1.194269995e+00 -1.680856640e+00 -1.881281010e+00 3.88 -1.160711130e+00 -1.636899358e+00 -1.835152302e+00 3.90 -1.125855945e+00 -1.593974330e+00 -1.790447002e+00 3.92 -1.089857287e+00 -1.551979254e+00 -1.746989858e+00 3.94 -1.052901624e+00 -1.510807386e+00 -1.704599471e+00 3.96 -1.015198398e+00 -1.470342902e+00 -1.663091585e+00 3.98 -9.769588889e-01 -1.430459948e+00 -1.622275732e+00 4.00 -9.383841884e-01 -1.391018992e+00 -1.581960220e+00 4.02 -8.996555195e-01 -1.351862899e+00 -1.541953297e+00 4.04 -8.609303741e-01 -1.312816554e+00 -1.502063676e+00 4.06 -8.223367762e-01 -1.273733272e+00 -1.462100586e+00 4.08 -7.839860129e-01 -1.234499895e+00 -1.421880695e+00 4.10 -7.459543530e-01 -1.195005107e+00 -1.381224320e+00 4.12 -7.083226303e-01 -1.155142607e+00 -1.339958736e+00 4.14 -6.711420510e-01 -1.114814056e+00 -1.297924530e+00 4.16 -6.344730486e-01 -1.073926268e+00 -1.254971382e+00 4.18 -5.983590680e-01 -1.032397564e+00 -1.210969373e+00 4.20 -5.626726870e-01 -9.901537046e-01 -1.165806406e+00 4.22 -5.267586157e-01 -9.471377398e-01 -1.119395924e+00 4.24 -4.930686584e-01 -9.033464631e-01 -1.071684963e+00 4.26 -4.637423786e-01 -8.588145540e-01 -1.022659272e+00 4.28 -4.377957899e-01 -8.136021223e-01 -9.723442792e-01 4.30 -4.089917978e-01 -7.678120159e-01 -9.208265805e-01 4.32 -3.741865448e-01 -7.215720430e-01 -8.682415260e-01 4.34 -3.326188779e-01 -6.750354018e-01 -8.147926593e-01 4.36 -2.865201395e-01 -6.283915311e-01 -7.607401030e-01 4.38 -2.399643788e-01 -5.815417787e-01 -7.064076042e-01 4.40 -1.957249715e-01 -5.351644252e-01 -6.521787241e-01 4.42 -1.554792480e-01 -4.919068379e-01 -5.984347122e-01 4.44 -1.201165942e-01 -4.497910834e-01 -5.447581784e-01 4.46 -8.998618786e-02 -4.060598717e-01 -4.935382825e-01 4.48 -6.505716165e-02 -3.577037842e-01 -4.515345888e-01 4.50 -4.504265025e-02 -3.059988425e-01 -4.103965536e-01 4.52 -2.951788004e-02 -2.531741075e-01 -3.586871587e-01 4.54 -1.798478152e-02 -2.033271419e-01 -2.976859360e-01 4.56 -9.890740512e-03 -1.599007495e-01 -2.377473922e-01 4.58 -4.658199609e-03 -1.240678503e-01 -1.856500987e-01 4.60 -1.687116981e-03 -9.564283854e-02 -1.434101124e-01 4.62 -3.533837252e-04 -7.362647550e-02 -1.104401669e-01 4.64 -1.097779672e-05 -5.655753007e-02 -8.483647510e-02 4.66 1.724870179e-13 -4.272275417e-02 -6.408413125e-02 4.68 1.724870179e-13 -3.120350033e-02 -4.680525050e-02 4.70 1.724870179e-13 -2.184847862e-02 -3.277271793e-02 4.72 1.724870179e-13 -1.449991687e-02 -2.174987531e-02 4.74 1.724870179e-13 -8.961125775e-03 -1.344168866e-02 4.76 1.724870179e-13 -5.008477149e-03 -7.512715724e-03 4.78 1.724870179e-13 -2.408280783e-03 -3.612421174e-03 4.80 1.724870179e-13 -9.023521395e-04 -1.353528209e-03 4.82 1.724870179e-13 -1.996217626e-04 -2.994326440e-04 4.84 1.724870179e-13 -9.087055804e-06 -1.363058379e-05 4.86 1.724870179e-13 1.724870179e-13 1.724870179e-13 4.88 1.724870179e-13 1.724870179e-13 1.724870179e-13 4.90 1.724870179e-13 1.724870179e-13 1.724870179e-13 4.92 1.724870179e-13 1.724870179e-13 1.724870179e-13 4.94 1.724870179e-13 1.724870179e-13 1.724870179e-13 4.96 1.724870179e-13 1.724870179e-13 1.724870179e-13 4.98 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.00 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.02 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.04 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.06 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.08 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.10 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.12 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.14 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.16 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.18 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.20 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.22 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.24 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.26 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.28 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.30 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.32 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.34 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.36 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.38 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.40 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.42 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.44 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.46 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.48 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.50 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.52 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.54 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.56 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.58 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.60 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.62 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.64 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.66 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.68 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.70 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.72 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.74 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.76 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.78 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.80 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.82 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.84 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.86 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.88 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.90 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.92 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.94 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.96 1.724870179e-13 1.724870179e-13 1.724870179e-13 5.98 1.724870179e-13 1.724870179e-13 1.724870179e-13 6.00 1.724870179e-13 1.724870179e-13 1.724870179e-13