structure SPC/E TIP3P TIP4P/2005 q-TIP4P/F TIP4P/Ice Expt. PBE+TS PBE LDA error_delta_y_experiment PBE+MBD SCAN SCAN+RVV10 Ih-->IX NaN NaN 0.2309503706 0.1317553262 0.263135642 0.15 0.3182542923 1.861176327 1.504599036 0.05 NaN 0.5090321022 0.05297359042 Ih-->II NaN NaN 0.4629892659 0.3494093522 0.5061933313 NaN 0.628361206 2.618528135 1.712540403 NaN NaN 0.4161235039 NaN Ih-->XIII 0.2569370279 NaN 0.5914314594 0.4173825385 0.6490190893 0.5 0.5698216628 2.48728741 1.779143391 0.3 NaN 0.6036851122 0.1099399531 Ih-->XIV 0.4592297665 0.053213236 0.3832907742 0.2535904462 0.40609942 NaN 0.65465667 2.615718003 1.831023286 NaN NaN 0.6658576521 0.1587564924 Ih-->XV 0.5900870295 0.06467350023 0.6329013752 0.4929250374 0.6720857532 1.3 0.9825206965 3.010424675 2.190974961 0.1 NaN 0.7992594562 0.2603685896 Ih-->VIII 1.822941443 0.8556746159 1.775625596 1.322242839 1.931837353 1.5 2.242465528 4.085463795 2.854455533 0 NaN 1.082509152 0.4082930479