structure SPC/E TIP3P TIP4P/2005 q-TIP4P/F TIP4P/Ice Expt. PBE+TS PBE LDA PBE+MBD SCAN SCAN+rVV10 Ih 0.5046704125 0.4358151573 0.5135984261 0.4870449565 0.5738704664 0.49064 0.5834455973 0.501416884 1.059144423 0.6541478724 0.6179062961 0.5959243751 IX 0.5138564522 0.4580466158 0.5120561101 0.4847971048 0.5715221331 0.487117 0.5745680177 0.4598229461 1.019558777 0.6364921127 0.6006887528 0.5927752051 II 0.5218728885 0.4717887173 0.5102168851 0.4787642425 0.5695475418 0.49005 0.5640753463 0.4349274872 1.00749748 0.6159006017 0.6007900755 0.598978553 XIII 0.5022031177 0.4507065935 0.5004411623 0.4732037566 0.5587389972 NaN 0.5678154718 0.4258781533 0.9972746964 0.6181344647 0.5893894861 0.5929093961 XIV 0.490258432 0.4402556366 0.5020573529 0.476888617 0.5613006465 NaN 0.5565883568 0.4121923535 0.9900581746 0.6115207132 0.5874146642 0.5943254269 XV 0.48668054 0.4406211096 0.4945079915 0.4665090443 0.5529373208 NaN 0.5437655103 0.3954235133 0.9728753055 0.5977532944 0.5819798693 0.5910993103 VIII 0.4198923022 0.3909316435 0.4367786204 0.4152983312 0.4881611155 0.45789 0.4877373718 0.3278121253 0.910431874 0.5561351763 0.5500368029 0.5738161859