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 0.04008289112 0.05259335823 0.06091308301 0.15 0.2822496067 2.188110527 1.528053943 0.05 0.7028286363 0.5409020374 0.15155399 Ih-->II NaN NaN 0.07874438651 0.1847349682 0.1001481901 NaN 0.586390112 2.08498547 1.713022373 NaN 1.083312173 0.4635486579 0.03143765266 Ih-->XIII 0.04789413611 NaN 0.2643976886 0.2703905996 0.3024644001 0.5 0.3821823638 1.976060195 1.731694643 0.3 0.8208217683 0.6680954207 0.2254970547 Ih-->XIV 0.2517542514 NaN 0.1989500953 0.171181041 0.2147835164 NaN 0.5990631922 2.108560614 1.741945518 NaN 0.8669745246 0.6437502436 0.1802416617 Ih-->XV 0.2993254027 NaN 0.3151589451 0.3320619884 0.3419112542 1.3 0.8586931065 2.353166085 2.044776789 0.1 1.138727973 0.7236525878 0.2673862557 Ih-->VIII 1.177271424 0.5342782758 1.055515103 0.968200365 1.169999564 1.5 1.772024673 3.156871623 2.834401986 0 1.641674524 1.139809085 0.745854223