H2O hydorlysis H-Si HO-B(-Si)2(-O) surface (pair job 1814)
1.0
7.66310000 0.00000000 0.00000000
0.00000000 25.32620000 0.00000000
0.00000000 0.00000000 5.41863000
Si O B H
23 7 1 7
Direct
0.15880345 0.24748052 0.36402050 # 1 Si1
0.15646701 0.32435999 0.11869519 # 2 Si2
0.40771699 0.24773332 0.62389953 # 3 Si3
0.40856858 0.32488230 0.86785268 # 4 Si4
0.20107397 0.55709379 0.27640869 # 5 Si5
0.34739613 0.55766813 0.73626749 # 6 Si6
0.15579023 0.47145965 0.12461640 # 7 Si7
0.40039791 0.47145018 0.87099402 # 8 Si8
0.15133338 0.39844888 0.38059993 # 9 Si9
0.16178076 0.16902802 0.12210941 # 10 Si10
0.41158057 0.39942465 0.60651251 # 11 Si11
0.41132131 0.16928005 0.86623049 # 12 Si12
0.65774921 0.24855620 0.36724153 # 13 Si13
0.65832976 0.32535429 0.11992044 # 14 Si14
0.90894541 0.24901387 0.62108487 # 15 Si15
0.90607739 0.32585713 0.86883310 # 16 Si16
0.04585096 0.56231208 0.65879650 # 17 Si18
0.65260820 0.48106252 0.10841903 # 18 Si19
0.91596662 0.48489248 0.86129290 # 19 Si20
0.66387667 0.40335343 0.35935753 # 20 Si21
0.66156840 0.17029683 0.12088550 # 21 Si22
0.90278502 0.40417329 0.63095659 # 22 Si23
0.91201945 0.17048765 0.86637390 # 23 Si24
0.63649460 0.53951622 0.30479943 # 24 O
0.96331242 0.61868604 0.74598349 # 25 O4
0.17103138 0.11715693 0.31847944 # 26 O5
0.42214769 0.11765699 0.66837362 # 27 O6
0.67218877 0.11870459 0.31901994 # 28 O7
0.92121886 0.11909455 0.66733251 # 29 O8
0.59191495 0.59680857 0.36511057 # 30 O9
0.41066514 0.57960874 0.45831519 # 31 B
0.07250849 0.11483346 0.44045853 # 32 H1
0.32301176 0.11451970 0.54804364 # 33 H2
0.57294996 0.11550680 0.43939601 # 34 H3
0.82222067 0.11628391 0.54620638 # 35 H4
0.83817412 0.62993591 0.73253433 # 36 H5
0.63094371 0.63115715 0.45901303 # 37 H6
0.61578583 0.52777452 0.48831136 # 38 H7