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 0.113583796 0.07489057487 0.1256283472 0.15 0.3272506575 1.978773779 1.626043977 0.05 NaN 0.4829297536 0.04992624538 IX-->II NaN NaN 0.09810008041 0.1905317595 0.1207800345 NaN 0.6839349789 2.318996273 1.905873029 NaN NaN 0.4225059526 NaN II-->XIII 0.07577101152 NaN 0.2999509256 0.2803796449 0.3368187583 0.5 0.6015838094 2.212055729 1.892040126 0.3 NaN 0.6334484501 0.1485415738 XIII-->XIV 0.2560777591 NaN 0.2090329264 0.1703294197 0.2236076603 NaN 0.6800392781 2.316974083 1.914415941 NaN NaN 0.6195655949 0.1200806226 XIV-->XV 0.3100085447 NaN 0.3349881375 0.340479525 0.3636375035 1.3 0.9801523059 2.629169151 2.260180703 0.1 NaN 0.7087896948 0.1939175812 XV-->VIII 1.232988221 0.5474416528 1.122283245 1.005158007 1.234633713 1.5 2.060587173 3.556106915 3.135723629 0 NaN 1.056816126 0.4888207996