# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Bonny-G-Bakaev-A-Terentyev-D-Mastrikov-Y-A--W-Re # implementation = 2017--Bonny-G--W-Re--LAMMPS--ipr1 # composition = W # 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 4.865079623e+03 nan 0.72 nan nan nan nan nan nan nan nan 4.262241801e+03 nan 0.74 nan nan nan nan nan nan nan nan 3.740264146e+03 nan 0.76 nan nan nan nan nan 2.957029685e+03 nan nan 3.287310731e+03 nan 0.78 nan nan nan nan nan 2.603066755e+03 nan nan 2.893659896e+03 nan 0.80 nan nan nan nan nan 2.296131520e+03 nan nan 2.550916616e+03 nan 0.82 nan nan nan nan nan 2.029734279e+03 nan nan 2.251772319e+03 nan 0.84 nan nan nan nan nan 1.797810300e+03 nan nan 1.990616193e+03 nan 0.86 nan 2.586410790e+03 nan 4.516044906e+03 4.515266851e+03 1.595218098e+03 nan nan 1.761896810e+03 2.747885190e+03 0.88 nan 2.306092207e+03 nan 4.039076214e+03 4.038671143e+03 1.418159475e+03 2.443223531e+03 nan 1.561122216e+03 2.445005625e+03 0.90 nan 2.059112226e+03 nan 3.618870112e+03 3.618703366e+03 1.263532277e+03 2.177689348e+03 nan 1.384942104e+03 2.178437779e+03 0.92 nan 1.840420807e+03 nan 3.247947864e+03 3.248068617e+03 1.127933438e+03 1.943049952e+03 nan 1.230325577e+03 1.942964346e+03 0.94 nan 1.646204793e+03 nan 2.920022948e+03 2.920425396e+03 1.009361817e+03 1.735662986e+03 nan 1.094459967e+03 1.735214404e+03 0.96 nan 1.473280720e+03 nan 2.629105129e+03 2.629715084e+03 9.055937099e+02 1.551867429e+03 nan 9.747824665e+02 1.551832874e+03 0.98 2.369865478e+03 1.319133913e+03 2.064371947e+03 2.370534403e+03 2.371320916e+03 8.140848632e+02 1.388825262e+03 2.147634191e+03 8.693533998e+02 1.389526649e+03 1.00 2.139781462e+03 1.181392339e+03 1.861013706e+03 2.140841221e+03 2.141623507e+03 7.330624345e+02 1.243910386e+03 1.938596446e+03 7.766498916e+02 1.245854909e+03 1.02 1.935743901e+03 1.057692267e+03 1.678608793e+03 1.936601774e+03 1.937149824e+03 6.610183839e+02 1.114892519e+03 1.752169368e+03 6.948219323e+02 1.118622559e+03 1.04 1.753222462e+03 9.464262522e+02 1.515163374e+03 1.753667936e+03 1.754004743e+03 5.967229661e+02 1.000033043e+03 1.584790638e+03 6.221899501e+02 1.005583734e+03 1.06 1.588996938e+03 8.461880484e+02 1.368307462e+03 1.589013304e+03 1.589059909e+03 5.393075221e+02 8.978205044e+02 1.433977245e+03 5.574011468e+02 9.047593215e+02 1.08 1.440706912e+03 7.557467073e+02 1.235984886e+03 1.440346851e+03 1.440061187e+03 4.877839729e+02 8.065640967e+02 1.297636170e+03 4.995255901e+02 8.148516205e+02 1.10 1.306474013e+03 6.741676815e+02 1.116273945e+03 1.305759892e+03 1.305212736e+03 4.412030706e+02 7.248462246e+02 1.173798886e+03 4.478575328e+02 7.346326807e+02 1.12 1.184278517e+03 6.005969330e+02 1.007688492e+03 1.183573547e+03 1.183038477e+03 3.988606056e+02 6.514521888e+02 1.061045176e+03 4.015506392e+02 6.624231922e+02 1.14 1.072592452e+03 5.345344323e+02 9.091296984e+02 1.072230755e+03 1.071920191e+03 3.602450606e+02 5.854177404e+02 9.583726052e+02 3.599747991e+02 5.971367051e+02 1.16 9.703806048e+02 4.755599130e+02 8.197602109e+02 9.704622329e+02 9.704503418e+02 3.250910291e+02 5.260264285e+02 8.648304726e+02 3.225986082e+02 5.380043150e+02 1.18 8.773952072e+02 4.230752418e+02 7.385650465e+02 8.777744471e+02 8.780024510e+02 2.930518168e+02 4.724641608e+02 7.799837700e+02 2.889800979e+02 4.847466988e+02 1.20 7.932418785e+02 3.763169665e+02 6.647435666e+02 7.936938223e+02 7.940126388e+02 2.637942919e+02 4.240845328e+02 7.031891402e+02 2.588431172e+02 4.370384822e+02 1.22 7.167695134e+02 3.346550319e+02 5.977821558e+02 7.172056143e+02 7.175609218e+02 2.370930424e+02 3.805249459e+02 6.335148480e+02 2.318573591e+02 3.938949013e+02 1.24 6.471903495e+02 2.975651342e+02 5.372312463e+02 6.475621728e+02 6.479201656e+02 2.127960934e+02 3.412452204e+02 5.703125077e+02 2.075835723e+02 3.547282580e+02 1.26 5.839290189e+02 2.645252805e+02 4.825857269e+02 5.841931952e+02 5.845087005e+02 1.908075802e+02 3.058793358e+02 5.130243482e+02 1.857475467e+02 3.192365141e+02 1.28 5.263889462e+02 2.350905528e+02 4.332290490e+02 5.265598989e+02 5.268012182e+02 1.708984138e+02 2.741692782e+02 4.612041345e+02 1.661134261e+02 2.871142012e+02 1.30 4.741413582e+02 2.089213038e+02 3.886079906e+02 4.742153663e+02 4.743527523e+02 1.528417893e+02 2.456181564e+02 4.144598501e+02 1.484673605e+02 2.580280433e+02 1.32 4.269391996e+02 1.857513328e+02 3.483753437e+02 4.268407703e+02 4.268169022e+02 1.364530463e+02 2.198508675e+02 3.722793517e+02 1.326024498e+02 2.317142594e+02 1.34 3.843889603e+02 1.652980193e+02 3.121503909e+02 3.840549589e+02 3.838197197e+02 1.215582397e+02 1.966642119e+02 3.341925999e+02 1.183205371e+02 2.079606746e+02 1.36 3.458498090e+02 1.471513510e+02 2.795185463e+02 3.453439947e+02 3.449302631e+02 1.080439586e+02 1.758401383e+02 2.997596887e+02 1.055209312e+02 1.864563425e+02 1.38 3.108682575e+02 1.310271075e+02 2.504317900e+02 3.103714386e+02 3.099113900e+02 9.596501395e+01 1.571873314e+02 2.686320416e+02 9.410985395e+01 1.669846803e+02 1.40 2.791840874e+02 1.167746413e+02 2.247004773e+02 2.788473890e+02 2.784748528e+02 8.528852389e+01 1.405085518e+02 2.405379050e+02 8.391355690e+01 1.493962429e+02 1.42 2.505224194e+02 1.042977911e+02 2.017102933e+02 2.503703340e+02 2.501300818e+02 7.576503599e+01 1.255709603e+02 2.151739014e+02 7.478224609e+01 1.335386810e+02 1.44 2.246054761e+02 9.333825641e+01 1.810435154e+02 2.246184652e+02 2.245129327e+02 6.721866338e+01 1.122040976e+02 1.922856243e+02 6.658698555e+01 1.193275483e+02 1.46 2.011757559e+02 8.363409127e+01 1.625109662e+02 2.013263582e+02 2.013511803e+02 5.955385511e+01 1.002932790e+02 1.717593485e+02 5.924310162e+01 1.066417031e+02 1.48 1.800111155e+02 7.506902142e+01 1.459284935e+02 1.802805281e+02 1.804335096e+02 5.270470707e+01 8.972174161e+01 1.535011230e+02 5.269159430e+01 9.528946022e+01 1.50 1.610225095e+02 6.747897186e+01 1.311172961e+02 1.613734248e+02 1.616469325e+02 4.660240163e+01 8.036020631e+01 1.373693414e+02 4.683223162e+01 8.513843139e+01 1.52 1.442455907e+02 6.072468924e+01 1.178719758e+02 1.446140968e+02 1.449703728e+02 4.114425335e+01 7.206603146e+01 1.232619282e+02 4.155905713e+01 7.614292028e+01 1.54 1.296131067e+02 5.473768165e+01 1.060084160e+02 1.299386623e+02 1.303125803e+02 3.624230847e+01 6.469602061e+01 1.108837164e+02 3.678825409e+01 6.822632690e+01 1.56 1.167561812e+02 4.941974955e+01 9.537721614e+01 1.170018958e+02 1.173388573e+02 3.183018449e+01 5.812655223e+01 9.991758117e+01 3.245849714e+01 6.121014089e+01 1.58 1.053360968e+02 4.465861009e+01 8.586061947e+01 1.054809396e+02 1.057425554e+02 2.786521414e+01 5.225670547e+01 9.018570562e+01 2.853010751e+01 5.493251103e+01 1.60 9.518489388e+01 4.035139515e+01 7.738213116e+01 9.522721979e+01 9.538940341e+01 2.435911485e+01 4.700142961e+01 8.155744546e+01 2.498556490e+01 4.930207946e+01 1.62 8.616451416e+01 3.641981596e+01 6.991086541e+01 8.611840360e+01 8.617758037e+01 2.136184133e+01 4.231702620e+01 7.390083557e+01 2.182966262e+01 4.425058763e+01 1.64 7.814174631e+01 3.279785897e+01 6.334611778e+01 7.803486380e+01 7.800223884e+01 1.883353868e+01 3.814095318e+01 6.708540666e+01 1.903667652e+01 3.971012455e+01 1.66 7.099143568e+01 2.947031835e+01 5.749526030e+01 7.085432792e+01 7.074297224e+01 1.663517159e+01 3.437599743e+01 6.100151910e+01 1.653647572e+01 3.561150790e+01 1.68 6.461598662e+01 2.642357836e+01 5.223457707e+01 6.446870221e+01 6.429043513e+01 1.468325249e+01 3.095150065e+01 5.555808692e+01 1.426589398e+01 3.190816740e+01 1.70 5.892300202e+01 2.362769445e+01 4.748928541e+01 5.877230494e+01 5.854298093e+01 1.294147854e+01 2.781015998e+01 5.067577283e+01 1.219524220e+01 2.856106494e+01 1.72 5.382211724e+01 2.105568557e+01 4.319411768e+01 5.366143756e+01 5.340232843e+01 1.138130473e+01 2.490373731e+01 4.627634389e+01 1.030571076e+01 2.552884968e+01 1.74 4.921228411e+01 1.868096319e+01 3.928384751e+01 4.904770921e+01 4.878604425e+01 9.973266175e+00 2.219858451e+01 4.229265920e+01 8.595041386e+00 2.274783663e+01 1.76 4.502377976e+01 1.648251088e+01 3.574007622e+01 4.486816729e+01 4.462923806e+01 8.700887923e+00 1.967788683e+01 3.867895024e+01 7.088802578e+00 2.017242215e+01 1.78 4.121094874e+01 1.443562777e+01 3.254281831e+01 4.106806669e+01 4.086585452e+01 7.559087045e+00 1.733830848e+01 3.538479964e+01 5.803779120e+00 1.777884558e+01 1.80 3.773462801e+01 1.251416884e+01 2.966064766e+01 3.760094999e+01 3.744221086e+01 6.539442033e+00 1.521289622e+01 3.234508602e+01 4.691802223e+00 1.555430841e+01 1.82 3.454227414e+01 1.073129429e+01 2.705920131e+01 3.441449414e+01 3.430270696e+01 5.630695638e+00 1.331871809e+01 2.950365153e+01 3.691775640e+00 1.348749136e+01 1.84 3.157483336e+01 9.081098583e+00 2.468282305e+01 3.146435079e+01 3.140420591e+01 4.808562550e+00 1.159912278e+01 2.682411499e+01 2.771480187e+00 1.157746827e+01 1.86 2.881595059e+01 7.561223338e+00 2.249137678e+01 2.874299226e+01 2.873745149e+01 4.061070511e+00 9.995403910e+00 2.431120003e+01 1.919911434e+00 9.882826191e+00 1.88 2.626632101e+01 6.170686617e+00 2.045527918e+01 2.625061786e+01 2.629822989e+01 3.383080826e+00 8.488470992e+00 2.197447283e+01 1.135959260e+00 8.445957856e+00 1.90 2.389457391e+01 4.905086171e+00 1.854372479e+01 2.394339462e+01 2.403725715e+01 2.768763981e+00 7.071748613e+00 1.979066499e+01 4.164717469e-01 7.206109329e+00 1.92 2.166035500e+01 3.757380168e+00 1.672832732e+01 2.176654205e+01 2.189635640e+01 2.209871241e+00 5.744623252e+00 1.772774556e+01 -2.408204979e-01 6.081826930e+00 1.94 1.954496301e+01 2.713549599e+00 1.498216423e+01 1.969580417e+01 1.985191849e+01 1.686914280e+00 4.497298517e+00 1.576407077e+01 -8.391816391e-01 5.032802301e+00 1.96 1.753535732e+01 1.760012218e+00 1.328195357e+01 1.771707644e+01 1.789162912e+01 1.179642866e+00 3.325005560e+00 1.390207741e+01 -1.386684968e+00 4.040635426e+00 1.98 1.561888599e+01 8.884687958e-01 1.162493605e+01 1.581952643e+01 1.600561685e+01 6.820536136e-01 2.226258833e+00 1.216379604e+01 -1.892648187e+00 3.091723029e+00 2.00 1.378407149e+01 8.772160257e-02 1.001186139e+01 1.399354614e+01 1.418390718e+01 1.916301285e-01 1.196011102e+00 1.053970772e+01 -2.367578062e+00 2.173231341e+00 2.02 1.204699154e+01 -6.532012012e-01 8.457825826e+00 1.225354468e+01 1.243873118e+01 -2.850001149e-01 2.342227899e-01 9.031544029e+00 -2.814827583e+00 1.289124872e+00 2.04 1.044969550e+01 -1.346538545e+00 6.995493909e+00 1.063775448e+01 1.080682521e+01 -7.322689730e-01 -6.510897544e-01 7.645372189e+00 -3.230237106e+00 4.648389676e-01 2.06 8.989578550e+00 -2.007666229e+00 5.628475653e+00 9.142830189e+00 9.284411279e+00 -1.149709598e+00 -1.464059771e+00 6.368199791e+00 -3.620522270e+00 -2.963183416e-01 2.08 7.643486319e+00 -2.644862070e+00 4.357539181e+00 7.753268038e+00 7.858884289e+00 -1.538721905e+00 -2.200344082e+00 5.184721958e+00 -3.987245110e+00 -9.932850256e-01 2.10 6.399115661e+00 -3.264837185e+00 3.183213375e+00 6.462577894e+00 6.527543656e+00 -1.900820484e+00 -2.846376943e+00 4.086088834e+00 -4.329224971e+00 -1.626390597e+00 2.12 5.249066575e+00 -3.864563584e+00 2.098343076e+00 5.265707925e+00 5.287390895e+00 -2.237519975e+00 -3.391552503e+00 3.065433601e+00 -4.640189533e+00 -2.200604745e+00 2.14 4.182886167e+00 -4.426068897e+00 1.091105507e+00 4.154729935e+00 4.132670867e+00 -2.549695590e+00 -3.849290479e+00 2.115139267e+00 -4.908732587e+00 -2.721758266e+00 2.16 3.189555728e+00 -4.930023910e+00 1.589626957e-01 3.122953935e+00 3.060821112e+00 -2.836239610e+00 -4.242584244e+00 1.228273622e+00 -5.128597231e+00 -3.195518096e+00 2.18 2.258043020e+00 -5.379537235e+00 -7.068874877e-01 2.160968793e+00 2.065934144e+00 -3.099252281e+00 -4.589961741e+00 3.978997922e-01 -5.309738383e+00 -3.627549747e+00 2.20 1.377484192e+00 -5.796548976e+00 -1.512437034e+00 1.259337645e+00 1.141694863e+00 -3.340004437e+00 -4.897938338e+00 -3.856834294e-01 -5.464730270e+00 -4.023463579e+00 2.22 5.420931014e-01 -6.198491439e+00 -2.260551084e+00 4.127797827e-01 2.834823779e-01 -3.558730614e+00 -5.171912294e+00 -1.125885916e+00 -5.600885792e+00 -4.385012011e+00 2.24 -2.509683478e-01 -6.585256011e+00 -2.952818857e+00 -3.820255185e-01 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