# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Chen-Y-Li-Y-H-Gao-N-et-al--W-Re # implementation = 2018--Chen-Y--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 2022-12-14 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 6.942825474e+03 nan 0.72 nan nan nan nan nan nan nan nan 6.103369895e+03 nan 0.74 nan nan nan nan nan nan nan nan 5.377165506e+03 nan 0.76 nan nan nan nan nan 4.232899601e+03 nan nan 4.747479620e+03 nan 0.78 nan nan nan nan nan 3.749887562e+03 nan nan 4.200061534e+03 nan 0.80 nan nan nan nan nan 3.329038740e+03 nan nan 3.723574590e+03 nan 0.82 nan nan nan nan nan 2.960806043e+03 nan nan 3.306225195e+03 nan 0.84 nan nan nan nan nan 2.638008076e+03 nan nan 2.938088977e+03 nan 0.86 nan 3.853664068e+03 nan 6.563309742e+03 6.563302021e+03 2.354576246e+03 nan nan 2.614790791e+03 4.014322500e+03 0.88 nan 3.447831501e+03 nan 5.902448181e+03 5.902940787e+03 2.105415687e+03 3.601837179e+03 nan 2.330424007e+03 3.592799535e+03 0.90 nan 3.086801495e+03 nan 5.316994300e+03 5.317861716e+03 1.886770648e+03 3.227635467e+03 nan 2.079556088e+03 3.221169402e+03 0.92 nan 2.761778240e+03 nan 4.796795638e+03 4.797903170e+03 1.694467324e+03 2.896775626e+03 nan 1.857839619e+03 2.892912421e+03 0.94 nan 2.473592934e+03 nan 4.334039786e+03 4.335172030e+03 1.524505154e+03 2.603590717e+03 nan 1.662044908e+03 2.601997405e+03 0.96 nan 2.217856912e+03 3.421234813e+03 3.922673351e+03 3.923481390e+03 1.373744606e+03 2.341152480e+03 3.574440193e+03 1.489265213e+03 2.343537755e+03 0.98 3.556103325e+03 1.990236456e+03 3.092061148e+03 3.556538646e+03 3.556897014e+03 1.239725599e+03 2.107214647e+03 3.235715449e+03 1.336466865e+03 2.113306520e+03 1.00 3.229867029e+03 1.787077671e+03 2.798823743e+03 3.229757559e+03 3.229700893e+03 1.120657830e+03 1.898877672e+03 2.928147018e+03 1.200844387e+03 1.907743616e+03 1.02 2.925083523e+03 1.603757646e+03 2.528686715e+03 2.924547355e+03 2.924021535e+03 1.010481366e+03 1.708807359e+03 2.647699913e+03 1.076919584e+03 1.718003735e+03 1.04 2.650174220e+03 1.439188725e+03 2.285777504e+03 2.649306677e+03 2.648389682e+03 9.115934361e+02 1.538391716e+03 2.394848770e+03 9.662063907e+02 1.548275937e+03 1.06 2.401794478e+03 1.291327670e+03 2.067053557e+03 2.400877449e+03 2.399899178e+03 8.226879156e+02 1.385343393e+03 2.166650943e+03 8.673369346e+02 1.396136718e+03 1.08 2.176897997e+03 1.158719861e+03 1.869882233e+03 2.176244933e+03 2.175554742e+03 7.427048333e+02 1.247734834e+03 1.960558211e+03 7.789540951e+02 1.259182264e+03 1.10 1.973135275e+03 1.040074867e+03 1.692134256e+03 1.972918508e+03 1.972707576e+03 6.708223838e+02 1.123958428e+03 1.774340160e+03 6.998125519e+02 1.135723365e+03 1.12 1.788888044e+03 9.340880091e+02 1.531809952e+03 1.789086547e+03 1.789321479e+03 6.061832172e+02 1.012517003e+03 1.606270208e+03 6.289021765e+02 1.024813269e+03 1.14 1.622600234e+03 8.393826935e+02 1.387048698e+03 1.623077812e+03 1.623594561e+03 5.479665107e+02 9.122154132e+02 1.454666110e+03 5.654044714e+02 9.255335371e+02 1.16 1.472376056e+03 7.546200817e+02 1.256203848e+03 1.473018807e+03 1.473677627e+03 4.954633820e+02 8.220487314e+02 1.317825047e+03 5.085234248e+02 8.364799917e+02 1.18 1.336484518e+03 6.786445774e+02 1.137781542e+03 1.337201099e+03 1.337912380e+03 4.480269138e+02 7.410857816e+02 1.194024437e+03 4.574813518e+02 7.563207638e+02 1.20 1.213265017e+03 6.104147410e+02 1.030429071e+03 1.214001780e+03 1.214724575e+03 4.050663159e+02 6.684656774e+02 1.082021539e+03 4.116134922e+02 6.839315174e+02 1.22 1.101475079e+03 5.490305894e+02 9.329661653e+02 1.102183537e+03 1.102880976e+03 3.660866695e+02 6.033298528e+02 9.807888872e+02 3.703518934e+02 6.184318399e+02 1.24 1.000176006e+03 4.937795603e+02 8.445650447e+02 1.000766877e+03 1.001359458e+03 3.307368346e+02 5.447789923e+02 8.893669050e+02 3.332149281e+02 5.591737667e+02 1.26 9.085401011e+02 4.440509359e+02 7.643521004e+02 9.088654932e+02 9.092082246e+02 2.985450057e+02 4.919452016e+02 8.067589252e+02 2.997276386e+02 5.056366894e+02 1.28 8.256630179e+02 3.992142849e+02 6.916318617e+02 8.256034968e+02 8.255713814e+02 2.692220591e+02 4.442269353e+02 7.320022643e+02 2.695268465e+02 4.572947114e+02 1.30 7.505623219e+02 3.586463214e+02 6.259787587e+02 7.501444077e+02 7.497490898e+02 2.426793929e+02 4.011385738e+02 6.642161736e+02 2.423488140e+02 4.136075458e+02 1.32 6.823584355e+02 3.219459207e+02 5.670031484e+02 6.817326167e+02 6.811139919e+02 2.188364442e+02 3.622403010e+02 6.026095879e+02 2.179217469e+02 3.740890731e+02 1.34 6.203018756e+02 2.888561692e+02 5.140491156e+02 6.196291422e+02 6.189476011e+02 1.974476230e+02 3.270896586e+02 5.464870027e+02 1.959528003e+02 3.383065880e+02 1.36 5.637043065e+02 2.591478317e+02 4.663314652e+02 5.631072705e+02 5.624901596e+02 1.781838639e+02 2.952845907e+02 4.952807507e+02 1.762044880e+02 3.058557609e+02 1.38 5.119447822e+02 2.325164905e+02 4.231670145e+02 5.115085466e+02 5.110460058e+02 1.607573575e+02 2.665303588e+02 4.485497341e+02 1.584156152e+02 2.763771591e+02 1.40 4.644991028e+02 2.086640527e+02 3.840410658e+02 4.642845172e+02 4.640436049e+02 1.449556868e+02 2.405076658e+02 4.060310617e+02 1.424099819e+02 2.495602132e+02 1.42 4.211405470e+02 1.873109687e+02 3.484937908e+02 4.211597184e+02 4.211601972e+02 1.305831702e+02 2.169488219e+02 3.675538210e+02 1.280025289e+02 2.252568923e+02 1.44 3.818109113e+02 1.681804938e+02 3.161150497e+02 3.820209118e+02 3.822247317e+02 1.174563475e+02 1.956362944e+02 3.329128345e+02 1.149970589e+02 2.033718903e+02 1.46 3.463848049e+02 1.510166562e+02 2.865470064e+02 3.467047064e+02 3.470305012e+02 1.054118116e+02 1.763555506e+02 3.017380345e+02 1.032112931e+02 1.837065750e+02 1.48 3.145054032e+02 1.355930959e+02 2.594709456e+02 3.148567932e+02 3.152216742e+02 9.430274853e+01 1.589118844e+02 2.736104758e+02 9.248320745e+01 1.660458120e+02 1.50 2.857238311e+02 1.217071334e+02 2.346886148e+02 2.860520774e+02 2.863970004e+02 8.407984709e+01 1.431519025e+02 2.481512945e+02 8.270038422e+01 1.501511471e+02 1.52 2.596318978e+02 1.091813014e+02 2.121036372e+02 2.599123510e+02 2.602088278e+02 7.477828809e+01 1.289473952e+02 2.250582943e+02 7.380901554e+01 1.358027232e+02 1.54 2.359323569e+02 9.787373338e+01 1.916505463e+02 2.361598978e+02 2.363993199e+02 6.643808981e+01 1.161776311e+02 2.040908362e+02 6.577094559e+01 1.228216733e+02 1.56 2.143843158e+02 8.766119928e+01 1.731974067e+02 2.145609037e+02 2.147427360e+02 5.902209418e+01 1.046875719e+02 1.850481397e+02 5.852419454e+01 1.110574415e+02 1.58 1.947799462e+02 7.843252220e+01 1.565256814e+02 1.949046790e+02 1.950277817e+02 5.240475050e+01 9.431054181e+01 1.677428930e+02 5.196248847e+01 1.003738303e+02 1.60 1.769484313e+02 7.008847217e+01 1.414347525e+02 1.770159039e+02 1.770776908e+02 4.646520855e+01 8.489641626e+01 1.519972989e+02 4.598115866e+01 9.064910629e+01 1.62 1.607133555e+02 6.254088577e+01 1.277625225e+02 1.607199724e+02 1.607201946e+02 4.111166436e+01 7.634355434e+01 1.376476463e+02 4.049107179e+01 8.176917490e+01 1.64 1.459056585e+02 5.572555086e+01 1.153846774e+02 1.458553191e+02 1.457999380e+02 3.628675713e+01 6.850966821e+01 1.245636090e+02 3.547612324e+01 7.362825552e+01 1.66 1.323793222e+02 4.958211836e+01 1.041852884e+02 1.322808835e+02 1.321796105e+02 3.194010951e+01 6.130881327e+01 1.126325702e+02 3.092514430e+01 6.613287552e+01 1.68 1.200009278e+02 4.402435473e+01 9.405979629e+01 1.198675246e+02 1.197331288e+02 2.802868019e+01 5.471748766e+01 1.017526121e+02 2.683871588e+01 5.919660095e+01 1.70 1.086471534e+02 3.900307952e+01 8.490788528e+01 1.084939552e+02 1.083408053e+02 2.451221891e+01 4.873085079e+01 9.182004350e+01 2.320245680e+01 5.273870597e+01 1.72 9.821838862e+01 3.447409953e+01 7.662656532e+01 9.805944490e+01 9.790125658e+01 2.134793745e+01 4.334576424e+01 8.273977279e+01 1.996365756e+01 4.671097575e+01 1.74 8.866163431e+01 3.039548158e+01 6.913953484e+01 8.850921051e+01 8.835809888e+01 1.849764427e+01 3.851873608e+01 7.445074785e+01 1.706839994e+01 4.114047626e+01 1.76 7.993929386e+01 2.672563966e+01 6.236983070e+01 7.980393222e+01 7.967010026e+01 1.592939045e+01 3.417396964e+01 6.690845416e+01 1.446953725e+01 3.606697192e+01 1.78 7.202199769e+01 2.342637986e+01 5.622085192e+01 7.191176752e+01 7.180286742e+01 1.361394201e+01 3.023933526e+01 6.007870077e+01 1.213502868e+01 3.152982572e+01 1.80 6.485402875e+01 2.048229268e+01 5.062955074e+01 6.477389420e+01 6.469456528e+01 1.152558302e+01 2.665389836e+01 5.391039374e+01 1.003818842e+01 2.750556342e+01 1.82 5.836179643e+01 1.784852013e+01 4.554255788e+01 5.831414869e+01 5.826663108e+01 9.643144650e+00 2.337683593e+01 4.833789040e+01 8.152911461e+00 2.392510242e+01 1.84 5.247874199e+01 1.547686144e+01 4.091141225e+01 5.246292703e+01 5.244664339e+01 7.947147858e+00 2.037310505e+01 4.330085379e+01 6.455346308e+00 2.072233911e+01 1.86 4.714675896e+01 1.333973735e+01 3.669089993e+01 4.715910832e+01 4.717064700e+01 6.419429762e+00 1.761079042e+01 3.874146924e+01 4.924133061e+00 1.784092065e+01 1.88 4.231637721e+01 1.140833047e+01 3.284029107e+01 4.235141467e+01 4.238551856e+01 5.044582868e+00 1.506273641e+01 3.461004390e+01 3.539695735e+00 1.524728352e+01 1.90 3.793830023e+01 9.653646406e+00 2.932277147e+01 3.798986490e+01 3.804050506e+01 3.809200514e+00 1.271398005e+01 3.086141131e+01 2.284612605e+00 1.291215082e+01 1.92 3.396396172e+01 8.047266751e+00 2.610720495e+01 3.402665235e+01 3.408853055e+01 2.702761904e+00 1.053666814e+01 2.745377416e+01 1.143951623e+00 1.080558215e+01 1.94 3.034968092e+01 6.561783855e+00 2.316563943e+01 3.041899164e+01 3.048769468e+01 1.716196115e+00 8.512793239e+00 2.435009262e+01 1.035096195e-01 8.901819844e+00 1.96 2.705623139e+01 5.171219112e+00 2.047244616e+01 2.712864353e+01 2.720071860e+01 8.416281759e-01 6.646612074e+00 2.156193999e+01 -8.499866508e-01 7.179065171e+00 1.98 2.404772546e+01 3.856731139e+00 1.800319091e+01 2.412072879e+01 2.419369717e+01 7.134623642e-02 4.946064774e+00 1.901365651e+01 -1.721235462e+00 5.617195404e+00 2.00 2.129524257e+01 2.623995996e+00 1.573162455e+01 2.136663552e+01 2.143825678e+01 -6.050876510e-01 3.418920820e+00 1.668471265e+01 -2.506343358e+00 4.199468551e+00 2.02 1.883959516e+01 1.493408744e+00 1.367611590e+01 1.890743901e+01 1.897565392e+01 -1.176204325e+00 2.090311737e+00 1.457888667e+01 -3.184589913e+00 2.945701739e+00 2.04 1.658800093e+01 4.694377471e-01 1.176599053e+01 1.665055479e+01 1.671349965e+01 -1.675108965e+00 9.206188784e-01 1.265645268e+01 -3.768215007e+00 1.809109556e+00 2.06 1.452616476e+01 -4.386834109e-01 9.982776195e+00 1.458187317e+01 1.463790578e+01 -2.108835944e+00 -1.089492711e-01 1.090361214e+01 -4.257501459e+00 7.819913669e-01 2.08 1.264003920e+01 -1.247542119e+00 8.308113233e+00 1.268755666e+01 1.273528771e+01 -2.484372895e+00 -1.016582514e+00 9.306484695e+00 -4.663596748e+00 -1.431031548e-01 2.10 1.091635903e+01 -1.981350704e+00 6.730173690e+00 1.095449233e+01 1.099272902e+01 -2.808402326e+00 -1.818228937e+00 7.852701756e+00 -4.998075819e+00 -9.732103992e-01 2.12 9.343775765e+00 -2.664189931e+00 5.258799906e+00 9.371532944e+00 9.399323384e+00 -3.085681827e+00 -2.523767735e+00 6.529957719e+00 -5.271527059e+00 -1.714734967e+00 2.14 7.910189642e+00 -3.319270756e+00 3.908051740e+00 7.927231530e+00 7.944278690e+00 -3.320181258e+00 -3.141531857e+00 5.325900197e+00 -5.491903702e+00 -2.374350372e+00 2.16 6.603791923e+00 -3.960940125e+00 2.691857666e+00 6.610514025e+00 6.617236147e+00 -3.515922727e+00 -3.679777028e+00 4.228599291e+00 -5.663929723e+00 -2.957884526e+00 2.18 5.413385381e+00 -4.584269111e+00 1.621691718e+00 5.410807619e+00 5.408229857e+00 -3.677117901e+00 -4.146657163e+00 3.225807024e+00 -5.793297816e+00 -3.470622654e+00 2.20 4.327865528e+00 -5.173638831e+00 6.886771491e-01 4.317580840e+00 4.307296152e+00 -3.808096709e+00 -4.550081389e+00 2.305437534e+00 -5.886224339e+00 -3.917674579e+00 2.22 3.336377012e+00 -5.712808614e+00 -1.276496716e-01 3.320226129e+00 3.304075246e+00 -3.913758494e+00 -4.899492319e+00 1.455552519e+00 -5.948913792e+00 -4.304065962e+00 2.24 2.428471331e+00 -6.184800706e+00 -8.487761747e-01 2.408110398e+00 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