# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Starikov-S-V-Kolotova-L-N-Kuksin-A-Y-et-al--U-Mo # implementation = 2018--Starikov-S-V--U-Mo--LAMMPS--ipr2 # composition = U # 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 2022-05-24 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 8.709665255e+02 nan 0.80 nan nan nan nan nan nan nan nan 7.921204608e+02 nan 0.82 nan nan nan nan nan nan nan nan 7.209804766e+02 nan 0.84 nan nan nan nan nan 5.646459124e+02 nan nan 6.570252554e+02 nan 0.86 nan nan nan nan nan 5.174708041e+02 nan nan 5.993656341e+02 nan 0.88 nan nan nan nan nan 4.749857166e+02 nan nan 5.475697085e+02 nan 0.90 nan nan nan nan nan 4.367423039e+02 nan nan 5.011477758e+02 nan 0.92 nan nan nan nan nan 4.023387307e+02 nan nan 4.595383194e+02 nan 0.94 nan nan nan 9.414055800e+02 9.415053196e+02 3.713818508e+02 nan nan 4.220767434e+02 6.108136053e+02 0.96 nan 5.631580260e+02 nan 8.716055821e+02 8.720374101e+02 3.425559252e+02 5.724463545e+02 nan 3.884257278e+02 5.621730542e+02 0.98 nan 5.192565623e+02 nan 8.080004513e+02 8.087800124e+02 3.161946258e+02 5.259868663e+02 nan 3.581087647e+02 5.183382020e+02 1.00 nan 4.791952420e+02 nan 7.497619947e+02 7.506898772e+02 2.915988330e+02 4.839375940e+02 nan 3.306609851e+02 4.786854940e+02 1.02 nan 4.420631205e+02 nan 6.963431849e+02 6.972247305e+02 2.686928899e+02 4.460169181e+02 nan 3.055304564e+02 4.427907558e+02 1.04 nan 4.077733355e+02 nan 6.472682079e+02 6.479097320e+02 2.474553826e+02 4.118653145e+02 nan 2.826014968e+02 4.103276659e+02 1.06 nan 3.759006399e+02 nan 6.009628211e+02 6.013870796e+02 2.278672770e+02 3.810794916e+02 5.561115342e+02 2.615353850e+02 3.804805756e+02 1.08 5.583353084e+02 3.464512685e+02 4.961500035e+02 5.584598601e+02 5.585576011e+02 2.099045455e+02 3.532596042e+02 5.160725571e+02 2.421472331e+02 3.533874211e+02 1.10 5.189199627e+02 3.192534539e+02 4.594882442e+02 5.187681527e+02 5.186153088e+02 1.935415187e+02 3.279995449e+02 4.787480609e+02 2.242708367e+02 3.284143433e+02 1.12 4.820833128e+02 2.942700538e+02 4.255396782e+02 4.817368912e+02 4.814060213e+02 1.781399704e+02 3.049482873e+02 4.440179420e+02 2.074839210e+02 3.053369846e+02 1.14 4.477362868e+02 2.714911935e+02 3.947642296e+02 4.473200239e+02 4.469249932e+02 1.642622413e+02 2.838940254e+02 4.117996635e+02 1.920069832e+02 2.839912462e+02 1.16 4.158145006e+02 2.508218451e+02 3.664645744e+02 4.153808369e+02 4.149744059e+02 1.513679222e+02 2.645338329e+02 3.820060593e+02 1.775575824e+02 2.642184843e+02 1.18 3.862444962e+02 2.320975253e+02 3.404367773e+02 3.858299520e+02 3.854549679e+02 1.393990089e+02 2.466647598e+02 3.545420332e+02 1.641062064e+02 2.458715569e+02 1.20 3.589357447e+02 2.151302775e+02 3.164835549e+02 3.585804735e+02 3.582728358e+02 1.283046639e+02 2.301296138e+02 3.293253351e+02 1.516178429e+02 2.288425748e+02 1.22 3.337968996e+02 1.997140688e+02 2.944273440e+02 3.335487448e+02 3.333331456e+02 1.180493227e+02 2.147849416e+02 3.061460624e+02 1.397781227e+02 2.130411161e+02 1.24 3.107514883e+02 1.856874050e+02 2.741066917e+02 3.106386485e+02 3.105240617e+02 1.086028801e+02 2.001808802e+02 2.850118739e+02 1.288843803e+02 1.984055398e+02 1.26 2.896598684e+02 1.729040111e+02 2.553533658e+02 2.896807465e+02 2.896571100e+02 9.992621905e+01 1.866662421e+02 2.656892465e+02 1.186900332e+02 1.848804156e+02 1.28 2.701511786e+02 1.612290911e+02 2.380213134e+02 2.702662145e+02 2.703051681e+02 9.198533822e+01 1.738508472e+02 2.478720880e+02 1.091938143e+02 1.719183761e+02 1.30 2.524519025e+02 1.505190751e+02 2.220471962e+02 2.525994334e+02 2.526717145e+02 8.477722371e+01 1.617331217e+02 2.316445180e+02 1.004040512e+02 1.601472000e+02 1.32 2.361521027e+02 1.406451537e+02 2.073831703e+02 2.362856318e+02 2.363717965e+02 7.828692701e+01 1.503029261e+02 2.166780681e+02 9.231763471e+01 1.489807636e+02 1.34 2.211148002e+02 1.315207214e+02 1.939460565e+02 2.212059003e+02 2.212917615e+02 7.245963006e+01 1.395487842e+02 2.028240072e+02 8.489368488e+01 1.383893776e+02 1.36 2.072027617e+02 1.230600955e+02 1.816490348e+02 2.072402741e+02 2.073160726e+02 6.724028085e+01 1.294606420e+02 1.899444644e+02 7.809203171e+01 1.283581877e+02 1.38 1.942671520e+02 1.151926381e+02 1.703815662e+02 1.942647258e+02 1.943272532e+02 6.256955006e+01 1.200176959e+02 1.779297703e+02 7.188339075e+01 1.188735506e+02 1.40 1.821776677e+02 1.078641823e+02 1.600192293e+02 1.821571933e+02 1.822069415e+02 5.838003960e+01 1.112005372e+02 1.666894049e+02 6.623204483e+01 1.099314546e+02 1.42 1.708338623e+02 1.010179387e+02 1.504362300e+02 1.708155721e+02 1.708563025e+02 5.460076441e+01 1.029968208e+02 1.561733592e+02 6.111653031e+01 1.015287591e+02 1.44 1.601877987e+02 9.460495466e+01 1.415096448e+02 1.601878377e+02 1.602219447e+02 5.116116892e+01 9.541326130e+01 1.463449528e+02 5.650146133e+01 9.367006518e+01 1.46 1.502130548e+02 8.858500777e+01 1.331356127e+02 1.502410043e+02 1.502693858e+02 4.799273776e+01 8.821739906e+01 1.371697675e+02 5.234176223e+01 8.636623546e+01 1.48 1.408979338e+02 8.268445447e+01 1.252484799e+02 1.409514341e+02 1.409762067e+02 4.504348016e+01 8.169163307e+01 1.286179651e+02 4.845380534e+01 7.963412955e+01 1.50 1.322222794e+02 7.725200818e+01 1.177980881e+02 1.322945183e+02 1.323199768e+02 4.226976003e+01 7.563943444e+01 1.206565987e+02 4.497705709e+01 7.348226555e+01 1.52 1.241550534e+02 7.204286493e+01 1.107557598e+02 1.242372082e+02 1.242670326e+02 3.964923909e+01 7.003843965e+01 1.132454951e+02 4.175868850e+01 6.789909852e+01 1.54 1.166516432e+02 6.705048668e+01 1.041079746e+02 1.167330120e+02 1.167683394e+02 3.717299114e+01 6.486444389e+01 1.063327686e+02 3.877308542e+01 6.284552215e+01 1.56 1.096642767e+02 6.227289638e+01 9.785002419e+01 1.097337641e+02 1.097735808e+02 3.484046003e+01 6.009376823e+01 9.986854292e+01 3.599730724e+01 5.828245285e+01 1.58 1.031347283e+02 5.770699341e+01 9.168062219e+01 1.031876930e+02 1.032310543e+02 3.264777698e+01 5.570183450e+01 9.380196206e+01 3.340931636e+01 5.416266335e+01 1.60 9.700977150e+01 5.334983499e+01 8.599948129e+01 9.704682771e+01 9.709338929e+01 3.058948480e+01 5.166264407e+01 8.809660720e+01 3.098727121e+01 5.043984358e+01 1.62 9.124990751e+01 4.896792306e+01 8.056879023e+01 9.127734638e+01 9.132738382e+01 2.865985597e+01 4.794908780e+01 8.272416092e+01 2.871096606e+01 4.707161296e+01 1.64 8.582198520e+01 4.495628111e+01 7.537850579e+01 8.584774235e+01 8.590105140e+01 2.685094061e+01 4.453396519e+01 7.766430391e+01 2.656286647e+01 4.401735026e+01 1.66 8.070077632e+01 4.109848453e+01 7.041572266e+01 8.073072463e+01 8.078600188e+01 2.515080348e+01 4.138711512e+01 7.290344720e+01 2.453617816e+01 4.123572112e+01 1.68 7.587042640e+01 3.741397625e+01 6.566799724e+01 7.590671042e+01 7.596092446e+01 2.354404545e+01 3.848096688e+01 6.843164194e+01 2.262815407e+01 3.868574263e+01 1.70 7.131941518e+01 3.392524772e+01 6.113071847e+01 7.135952830e+01 7.140819171e+01 2.201825255e+01 3.577454210e+01 6.424028663e+01 2.084102674e+01 3.633120056e+01 1.72 6.703626026e+01 3.065068181e+01 5.680655644e+01 6.707456562e+01 6.711336165e+01 2.056601933e+01 3.324297209e+01 6.031608220e+01 1.917929433e+01 3.413750799e+01 1.74 6.300970701e+01 2.760244219e+01 5.270106919e+01 6.304009133e+01 6.306545501e+01 1.918300259e+01 3.092848885e+01 5.664281423e+01 1.764468066e+01 3.207615303e+01 1.76 5.923641331e+01 2.477772155e+01 4.882268393e+01 5.925230357e+01 5.926104229e+01 1.786697930e+01 2.876806200e+01 5.288493016e+01 1.623021274e+01 3.013324752e+01 1.78 5.570788946e+01 2.216827918e+01 4.518156756e+01 5.570375864e+01 5.569371431e+01 1.661785681e+01 2.675046689e+01 4.955548129e+01 1.492507447e+01 2.829930519e+01 1.80 5.244881667e+01 1.977085193e+01 4.181568433e+01 5.242230222e+01 5.239330597e+01 1.545038636e+01 2.487967828e+01 4.634732547e+01 1.373016480e+01 2.658918953e+01 1.82 4.878964420e+01 1.749672619e+01 3.829671643e+01 4.874191637e+01 4.869535307e+01 1.414836234e+01 2.292884325e+01 4.303970607e+01 1.247369102e+01 2.467191629e+01 1.84 4.567734311e+01 1.545630901e+01 3.526753573e+01 4.561147524e+01 4.554939422e+01 1.303258391e+01 2.120833003e+01 3.995332496e+01 1.138622384e+01 2.302475929e+01 1.86 4.261044005e+01 1.358376867e+01 3.239683053e+01 4.253199452e+01 4.245782735e+01 1.194079181e+01 1.954654508e+01 3.692755183e+01 1.033797881e+01 2.140074889e+01 1.88 3.959221890e+01 1.187788847e+01 2.967918917e+01 3.950798413e+01 3.942636030e+01 1.087669041e+01 1.793825693e+01 3.397215223e+01 9.330470664e+00 1.980499496e+01 1.90 3.662901222e+01 1.033820603e+01 2.710802067e+01 3.654577561e+01 3.646187698e+01 9.842989875e+00 1.637979130e+01 3.109701045e+01 8.365665806e+00 1.824143313e+01 1.92 3.372946660e+01 8.958251802e+00 2.467559998e+01 3.365267380e+01 3.357149371e+01 8.841196760e+00 1.487061897e+01 2.831214661e+01 7.443604891e+00 1.671134811e+01 1.94 3.090158674e+01 7.725561080e+00 2.237574449e+01 3.083544289e+01 3.076179714e+01 7.873084301e+00 1.341064644e+01 2.562760026e+01 6.564317967e+00 1.521343854e+01 1.96 2.815613635e+01 6.627455078e+00 2.020577304e+01 2.810357496e+01 2.804221434e+01 6.941430318e+00 1.200088533e+01 2.305424696e+01 5.726864766e+00 1.374987066e+01 1.98 2.550542045e+01 5.651230410e+00 1.816386244e+01 2.546803290e+01 2.542254298e+01 6.049372061e+00 1.064682908e+01 2.060385270e+01 4.931294279e+00 1.232701376e+01 2.00 2.296078891e+01 4.785012573e+00 1.624953547e+01 2.293942546e+01 2.291208326e+01 5.200871302e+00 9.356561849e+00 1.828689441e+01 4.178605107e+00 1.095123709e+01 2.02 2.053364707e+01 4.021444741e+00 1.446294305e+01 2.052808598e+01 2.051947010e+01 4.400231850e+00 8.136611059e+00 1.611420870e+01 3.470656987e+00 9.629493614e+00 2.04 1.823563620e+01 3.353466479e+00 1.280351296e+01 1.824493129e+01 1.825425878e+01 3.650862715e+00 6.991191890e+00 1.409666092e+01 2.809255508e+00 8.369566050e+00 2.06 1.607902561e+01 2.772735368e+00 1.127025059e+01 1.610135619e+01 1.612656503e+01 2.955825312e+00 5.923552317e+00 1.224510304e+01 2.196166864e+00 7.180972024e+00 2.08 1.407555264e+01 2.271199938e+00 9.861462754e+00 1.410814799e+01 1.414593050e+01 2.317896962e+00 4.937202908e+00 1.056170601e+01 1.632858412e+00 6.072952494e+00 2.10 1.223360068e+01 1.840335124e+00 8.574203693e+00 1.227394772e+01 1.232071596e+01 1.738918344e+00 4.036226025e+00 9.040936801e+00 1.120794388e+00 5.051470958e+00 2.12 1.056025029e+01 1.471164535e+00 7.406873273e+00 1.060647979e+01 1.065921109e+01 1.220576604e+00 3.223731689e+00 7.677544914e+00 6.609005633e-01 4.120911053e+00 2.14 9.054289924e+00 1.153824254e+00 6.356085241e+00 9.105014834e+00 9.161293772e+00 7.615483269e-01 2.498272614e+00 6.465144073e+00 2.517303166e-01 3.281144120e+00 2.16 7.705269721e+00 8.774584891e-01 5.412691646e+00 7.759233220e+00 7.817085922e+00 3.571179333e-01 1.853905276e+00 5.394163392e+00 -1.107414301e-01 2.527097990e+00 2.18 6.502938045e+00 6.318180004e-01 4.567903848e+00 6.558632566e+00 6.616375377e+00 2.731951177e-03 1.284293925e+00 4.454565449e+00 -4.302293146e-01 1.853331089e+00 2.20 5.437375915e+00 4.103502700e-01 3.813806497e+00 5.493223280e+00 5.549322522e+00 -4.809333191e-01 7.829755604e-01 3.636123394e+00 -7.362565978e-01 1.253633597e+00 2.22 4.498561563e+00 2.086144508e-01 3.141988106e+00 4.552894182e+00 4.606008539e+00 -1.054702211e+00 3.440604481e-01 2.928420493e+00 -1.252008271e+00 7.213417630e-01 2.24 3.677525919e+00 2.271975082e-02 2.544866180e+00 3.728289445e+00 3.776908890e+00 -1.517415404e+00 -3.848407505e-02 2.321666650e+00 -1.699909054e+00 2.511430837e-01 2.26 2.965440354e+00 -1.503914781e-01 2.015283071e+00 3.010293217e+00 3.052576232e+00 -1.886456296e+00 -3.713447331e-01 1.806199443e+00 -2.076726714e+00 -1.612745727e-01 2.28 2.353174670e+00 -3.124824951e-01 1.547441521e+00 2.389909947e+00 2.424015746e+00 -2.182235072e+00 -6.604384616e-01 1.371056804e+00 -2.393828086e+00 -5.201864197e-01 2.30 1.831623512e+00 -4.657408629e-01 1.137180159e+00 1.858461135e+00 1.882891952e+00 -2.420380947e+00 -9.111690251e-01 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