# 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 = 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 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 1.355524463e+03 nan nan 0.82 1.199851485e+03 nan nan 0.84 1.059881755e+03 nan nan 0.86 9.336699844e+02 nan nan 0.88 8.194809985e+02 nan nan 0.90 7.156902515e+02 1.167789631e+03 1.349114395e+03 0.92 6.211078765e+02 1.041858122e+03 1.211439568e+03 0.94 5.373913216e+02 9.263479788e+02 1.085807708e+03 0.96 4.638794876e+02 8.204064432e+02 9.709919025e+02 0.98 3.994037780e+02 7.232681967e+02 8.657197007e+02 1.00 3.428651672e+02 6.342523082e+02 7.687487036e+02 1.02 2.933047906e+02 5.549866719e+02 6.788834998e+02 1.04 2.499431365e+02 4.852430982e+02 5.962273498e+02 1.06 2.121050673e+02 4.237345740e+02 5.226524291e+02 1.08 1.791717973e+02 3.692726121e+02 4.574532338e+02 1.10 1.505748896e+02 3.209717346e+02 3.997887979e+02 1.12 1.258224368e+02 2.782134537e+02 3.488707756e+02 1.14 1.044860311e+02 2.404466511e+02 3.039443205e+02 1.16 8.620852954e+01 2.071520337e+02 2.642876041e+02 1.18 7.065853658e+01 1.778423591e+02 2.292591461e+02 1.20 5.751634211e+01 1.520663132e+02 1.983486736e+02 1.22 4.648420137e+01 1.294391380e+02 1.710892300e+02 1.24 3.728785861e+01 1.096346987e+02 1.470476155e+02 1.26 2.967650556e+01 9.237366005e+01 1.258627918e+02 1.28 2.342208421e+01 7.739620261e+01 1.072486914e+02 1.30 1.831778372e+01 6.445959244e+01 9.095015748e+01 1.32 1.417948465e+01 5.333789763e+01 7.673004465e+01 1.34 1.084924770e+01 4.382309981e+01 6.436753944e+01 1.36 8.190587298e+00 3.572925536e+01 5.365913622e+01 1.38 6.085571781e+00 2.888829408e+01 4.441870109e+01 1.40 4.436011959e+00 2.314706937e+01 3.648740007e+01 1.42 3.161040824e+00 1.836707451e+01 2.972821163e+01 1.44 2.194654414e+00 1.442078973e+01 2.401148631e+01 1.46 1.486078401e+00 1.118948689e+01 1.921177082e+01 1.48 9.921908195e-01 8.566598160e+00 1.521309054e+01 1.50 6.753300606e-01 6.457839472e+00 1.190918033e+01 1.52 4.956133867e-01 4.781336938e+00 9.203493125e+00 1.54 4.032020998e-01 3.468535553e+00 7.009251825e+00 1.56 3.606823859e-01 2.460966855e+00 5.251022424e+00 1.58 3.432899143e-01 1.707985325e+00 3.863096779e+00 1.60 3.354944917e-01 1.165777883e+00 2.786881757e+00 1.62 3.282490522e-01 7.972668592e-01 1.970649174e+00 1.64 3.164477609e-01 5.651947887e-01 1.369265544e+00 1.66 2.975261476e-01 4.299097951e-01 9.438707094e-01 1.68 2.707177305e-01 3.592375941e-01 6.616983016e-01 1.70 2.364283931e-01 3.266669774e-01 4.894860484e-01 1.72 1.957330926e-01 3.140973613e-01 3.894691419e-01 1.74 1.500302233e-01 3.099490980e-01 3.341430484e-01 1.76 1.008369974e-01 3.070892741e-01 3.051013629e-01 1.78 4.977144110e-02 3.013120073e-01 2.899686305e-01 1.80 -1.646505103e-03 2.904131927e-01 2.803260837e-01 1.82 -5.209386965e-02 2.735528368e-01 2.706406911e-01 1.84 -1.005195902e-01 2.507646293e-01 2.575826043e-01 1.86 -1.460899097e-01 2.225990275e-01 2.393932374e-01 1.88 -1.881542891e-01 1.898689531e-01 2.153909134e-01 1.90 -2.262395234e-01 1.535274163e-01 1.857124835e-01 1.92 -2.600339012e-01 1.146073432e-01 1.510337534e-01 1.94 -2.893722748e-01 7.415507620e-02 1.123507730e-01 1.96 -3.142148574e-01 3.313376791e-02 7.081954350e-02 1.98 -3.346292283e-01 -7.598933868e-03 2.763611983e-02 2.00 -3.507708891e-01 -4.729665005e-02 -1.606993415e-02 2.02 -3.628653650e-01 -8.535892030e-02 -5.933094094e-02 2.04 -3.711924251e-01 -1.213064965e-01 -1.013228760e-01 2.06 -3.760698630e-01 -1.547715047e-01 -1.413697248e-01 2.08 -3.778438921e-01 -1.854915626e-01 -1.789445485e-01 2.10 -3.768754784e-01 -2.132992835e-01 -2.136588376e-01 2.12 -3.735328862e-01 -2.381110568e-01 -2.452478785e-01 2.14 -3.681976728e-01 -2.599169731e-01 -2.735513006e-01 2.16 -3.612827872e-01 -2.787675991e-01 -2.984911631e-01 2.18 -3.531893400e-01 -2.947631697e-01 -3.200476609e-01 2.20 -3.442958485e-01 -3.080419663e-01 -3.382454721e-01 2.22 -3.349538684e-01 -3.187712398e-01 -3.531733271e-01 2.24 -3.254850660e-01 -3.271381864e-01 -3.649633813e-01 2.26 -3.161769380e-01 -3.333427757e-01 -3.737797245e-01 2.28 -3.072813508e-01 -3.375900961e-01 -3.798128066e-01 2.30 -2.990119330e-01 -3.400850369e-01 -3.832708946e-01 2.32 -2.915402094e-01 -3.410266699e-01 -3.843737284e-01 2.34 -2.849957820e-01 -3.406055885e-01 -3.833478596e-01 2.36 -2.794593783e-01 -3.389997447e-01 -3.804208119e-01 2.38 -2.749623612e-01 -3.363710374e-01 -3.758180141e-01 2.40 -2.714792331e-01 -3.328646926e-01 -3.697583797e-01 2.42 -2.689239186e-01 -3.286066842e-01 -3.624535229e-01 2.44 -2.671434686e-01 -3.237043124e-01 -3.541025183e-01 2.46 -2.659107719e-01 -3.182519623e-01 -3.448939427e-01 2.48 -2.649157193e-01 -3.123257495e-01 -3.350022980e-01 2.50 -2.637578559e-01 -3.059791628e-01 -3.245864279e-01 2.52 -2.620387582e-01 -2.992443896e-01 -3.137893248e-01 2.54 -2.595922173e-01 -2.921793595e-01 -3.027381517e-01 2.56 -2.563038214e-01 -2.848620762e-01 -2.915426453e-01 2.58 -2.520711156e-01 -2.773609106e-01 -2.802952419e-01 2.60 -2.468118380e-01 -2.697096607e-01 -2.690713793e-01 2.62 -2.405177971e-01 -2.619001140e-01 -2.579292588e-01 2.64 -2.332446438e-01 -2.538776731e-01 -2.469095815e-01 2.66 -2.250521504e-01 -2.455347876e-01 -2.360368605e-01 2.68 -2.159980628e-01 -2.368076516e-01 -2.253178995e-01 2.70 -2.061364840e-01 -2.276988622e-01 -2.147434460e-01 2.72 -1.955147166e-01 -2.182027178e-01 -2.042882334e-01 2.74 -1.838631461e-01 -2.082990351e-01 -1.939087838e-01 2.76 -1.730234116e-01 -1.979531423e-01 -1.835467602e-01 2.78 -1.616946998e-01 -1.871067013e-01 -1.731226911e-01 2.80 -1.435276383e-01 -1.755854667e-01 -1.625376632e-01 2.82 -1.196821275e-01 -1.636479929e-01 -1.516689797e-01 2.84 -9.591411619e-02 -1.520041040e-01 -1.403509328e-01 2.86 -7.524804962e-02 -1.326871153e-01 -1.280739789e-01 2.88 -5.797128589e-02 -1.091129145e-01 -1.172774923e-01 2.90 -4.397721674e-02 -8.164115884e-02 -9.721329356e-02 2.92 -3.312051304e-02 -5.646401601e-02 -6.436703471e-02 2.94 -2.496651282e-02 -3.800008250e-02 -3.754092289e-02 2.96 -1.900789995e-02 -2.603739705e-02 -1.959924219e-02 2.98 -1.477644872e-02 -1.921575655e-02 -9.802040143e-03 3.00 -1.186937850e-02 -1.581902695e-02 -5.901844030e-03 3.02 -9.944258474e-03 -1.450189078e-02 -5.622898694e-03 3.04 -8.686689561e-03 -1.433319923e-02 -7.265286575e-03 3.06 -7.773761989e-03 -1.458157910e-02 -9.517716331e-03 3.08 -6.936119770e-03 -1.468338755e-02 -1.142355778e-02 3.10 -6.127554280e-03 -1.457032097e-02 -1.286295476e-02 3.12 -5.355345270e-03 -1.428328519e-02 -1.389479271e-02 3.14 -4.622630520e-03 -1.385697520e-02 -1.457351318e-02 3.16 -3.931843578e-03 -1.332202084e-02 -1.494867750e-02 3.18 -3.285365438e-03 -1.270494870e-02 -1.506719442e-02 3.20 -2.683106593e-03 -1.202880099e-02 -1.497044355e-02 3.22 -2.125378876e-03 -1.131283889e-02 -1.469666608e-02 3.24 -1.612627236e-03 -1.057240622e-02 -1.427899841e-02 3.26 -1.142603254e-03 -9.821981435e-03 -1.374653767e-02 3.28 -7.150228248e-04 -9.072235325e-03 -1.312570415e-02 3.30 -3.300408059e-04 -8.333204410e-03 -1.243922355e-02 3.32 1.747840142e-05 -7.610238838e-03 -1.170506973e-02 3.34 3.268275262e-04 -6.910291562e-03 -1.094046212e-02 3.36 6.008386312e-04 -6.236816958e-03 -1.015931481e-02 3.38 8.409926495e-04 -5.593613971e-03 -9.372331946e-03 3.40 1.049738521e-03 -4.982497628e-03 -8.589257926e-03 3.42 1.229315808e-03 -4.405362624e-03 -7.819412431e-03 3.44 1.379721159e-03 -3.861864231e-03 -7.067012348e-03 3.46 1.506035965e-03 -3.352847264e-03 -6.337480807e-03 3.48 1.606395200e-03 -2.878575418e-03 -5.636684730e-03 3.50 1.686261037e-03 -2.438524193e-03 -4.966464092e-03 3.52 1.745023251e-03 -2.029957961e-03 -4.327915132e-03 3.54 1.785026138e-03 -1.653751140e-03 -3.724078371e-03 3.56 1.808835339e-03 -1.308280009e-03 -3.156113535e-03 3.58 1.816151148e-03 -9.919196129e-04 -2.624144881e-03 3.60 1.810202208e-03 -7.028981598e-04 -2.127060159e-03 3.62 1.790804407e-03 -4.409891448e-04 -1.666635715e-03 3.64 1.760532228e-03 -2.031125268e-04 -1.239030786e-03 3.66 1.720173607e-03 1.048488382e-05 -8.475276233e-04 3.68 1.670503018e-03 2.012827392e-04 -4.894312392e-04 3.70 1.614584712e-03 3.722497213e-04 -1.623452887e-04 3.72 1.551402425e-03 5.230406406e-04 1.340514332e-04 3.74 1.482923733e-03 6.563009819e-04 4.007667777e-04 3.76 1.409757988e-03 7.721003019e-04 6.390707488e-04 3.78 1.333688983e-03 8.727250209e-04 8.514860176e-04 3.80 1.253588407e-03 9.596532103e-04 1.039139856e-03 3.82 1.172816123e-03 1.031369333e-03 1.201315208e-03 3.84 1.090646587e-03 1.091822643e-03 1.342586823e-03 3.86 1.007881999e-03 1.139144137e-03 1.460982954e-03 3.88 9.258520925e-04 1.177007536e-03 1.561383784e-03 3.90 8.445713826e-04 1.205140181e-03 1.642260928e-03 3.92 7.647311121e-04 1.224600805e-03 1.706653893e-03 3.94 6.866954268e-04 1.235743894e-03 1.754884465e-03 3.96 6.126220729e-04 1.240565029e-03 1.788763935e-03 3.98 5.400645759e-04 1.237705469e-03 1.808857942e-03 4.00 4.731737808e-04 1.229366566e-03 1.816336589e-03 4.02 4.079506410e-04 1.215936694e-03 1.812578116e-03 4.04 3.489428077e-04 1.197700620e-03 1.797890428e-03 4.06 2.930051276e-04 1.176011543e-03 1.774902102e-03 4.08 2.424073822e-04 1.149834231e-03 1.742528821e-03 4.10 1.979593985e-04 1.121818576e-03 1.703741952e-03 4.12 1.576535980e-04 1.090367045e-03 1.658028953e-03 4.14 1.220988868e-04 1.056248020e-03 1.606664804e-03 4.16 9.164502523e-05 1.018716076e-03 1.548938597e-03 4.18 6.639683303e-05 9.805177465e-04 1.488026501e-03 4.20 4.557306891e-05 9.385170911e-04 1.422394655e-03 4.22 2.931720175e-05 8.954625632e-04 1.355061153e-03 4.24 1.714957016e-05 8.497217144e-04 1.284128434e-03 4.26 9.550896494e-06 8.030440632e-04 1.212170330e-03 4.28 3.912241062e-06 7.553490156e-04 1.139019377e-03 4.30 5.717555564e-07 7.074607961e-04 1.065867420e-03 4.32 -5.100589304e-07 6.584009428e-04 9.912061191e-04 4.34 3.523222702e-14 6.107239659e-04 9.188298244e-04 4.36 3.523222702e-14 5.622807545e-04 8.454823219e-04 4.38 3.523222702e-14 5.152789671e-04 7.744447673e-04 4.40 3.523222702e-14 4.684523083e-04 7.037911363e-04 4.42 3.523222702e-14 4.242857165e-04 6.372259137e-04 4.44 3.523222702e-14 3.806602842e-04 5.715513508e-04 4.46 3.523222702e-14 3.387452709e-04 5.085046383e-04 4.48 3.523222702e-14 2.992542015e-04 4.491419275e-04 4.50 3.523222702e-14 2.624111535e-04 3.937881222e-04 4.52 3.523222702e-14 2.270288457e-04 3.406528294e-04 4.54 3.523222702e-14 1.945021350e-04 2.918210894e-04 4.56 3.523222702e-14 1.642544455e-04 2.464223172e-04 4.58 3.523222702e-14 1.369816271e-04 2.054957881e-04 4.60 3.523222702e-14 1.124404294e-04 1.686734219e-04 4.62 3.523222702e-14 9.013218313e-05 1.352049185e-04 4.64 3.523222702e-14 7.051972973e-05 1.057828246e-04 4.66 3.523222702e-14 5.392249313e-05 8.088518128e-05 4.68 3.523222702e-14 3.995555876e-05 5.993392943e-05 4.70 3.523222702e-14 2.772033751e-05 4.158071706e-05 4.72 3.523222702e-14 1.883690982e-05 2.825542982e-05 4.74 3.523222702e-14 1.132720894e-05 1.699082942e-05 4.76 3.523222702e-14 7.031431545e-06 1.054715019e-05 4.78 3.523222702e-14 2.969304559e-06 4.453957251e-06 4.80 3.523222702e-14 1.535533138e-06 2.303299732e-06 4.82 3.523222702e-14 8.517412609e-09 1.277610130e-08 4.84 3.523222702e-14 -4.210028298e-08 -6.315044209e-08 4.86 3.523222702e-14 3.523222702e-14 3.523222702e-14 4.88 3.523222702e-14 3.523222702e-14 3.523222702e-14 4.90 3.523222702e-14 3.523222702e-14 3.523222702e-14 4.92 3.523222702e-14 3.523222702e-14 3.523222702e-14 4.94 3.523222702e-14 3.523222702e-14 3.523222702e-14 4.96 3.523222702e-14 3.523222702e-14 3.523222702e-14 4.98 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.00 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.02 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.04 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.06 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.08 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.10 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.12 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.14 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.16 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.18 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.20 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.22 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.24 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.26 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.28 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.30 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.32 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.34 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.36 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.38 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.40 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.42 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.44 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.46 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.48 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.50 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.52 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.54 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.56 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.58 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.60 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.62 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.64 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.66 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.68 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.70 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.72 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.74 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.76 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.78 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.80 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.82 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.84 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.86 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.88 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.90 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.92 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.94 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.96 3.523222702e-14 3.523222702e-14 3.523222702e-14 5.98 3.523222702e-14 3.523222702e-14 3.523222702e-14 6.00 3.523222702e-14 3.523222702e-14 3.523222702e-14