H2O hydrolysis H-Si HO-B(-Si)3 surface (pair job 1808)
1.0
7.66310000 0.00000000 0.00000000
0.00000000 25.32620000 0.00000000
0.00000000 0.00000000 5.41863000
Si O B H
24 6 1 7
Direct
0.16680341 0.24568485 0.36000092 # 1 Si1
0.16610154 0.32267410 0.11468687 # 2 Si2
0.41640894 0.24545891 0.61737337 # 3 Si3
0.41551322 0.32267714 0.86097196 # 4 Si4
0.18196017 0.55356163 0.35975687 # 5 Si5
0.41463741 0.54458812 0.65640091 # 6 Si6
0.15560191 0.47634722 0.11730615 # 7 Si7
0.41498893 0.46945807 0.89318536 # 8 Si8
0.16120104 0.39937648 0.36277478 # 9 Si9
0.17007600 0.16731013 0.11522597 # 10 Si10
0.41547243 0.39909207 0.60821504 # 11 Si11
0.42005272 0.16704481 0.86034352 # 12 Si12
0.66596103 0.24555853 0.35983276 # 13 Si13
0.66487689 0.32258115 0.11495242 # 14 Si14
0.91631270 0.24619030 0.61625197 # 15 Si15
0.91544977 0.32276214 0.86592128 # 16 Si16
0.64813090 0.55203733 0.35834691 # 17 Si17
0.91405884 0.56136784 0.59859310 # 18 Si18
0.67530363 0.47557923 0.11445380 # 19 Si19
0.91599810 0.47978296 0.84225965 # 20 Si20
0.67030333 0.39918453 0.36350292 # 21 Si21
0.67012277 0.16722018 0.11502857 # 22 Si22
0.91603161 0.39950268 0.61956657 # 23 Si23
0.92012255 0.16760487 0.85993444 # 24 Si24
0.91361981 0.61125458 0.79375061 # 25 O4
0.17943945 0.11563665 0.31274436 # 26 O5
0.42987048 0.11560317 0.66156819 # 27 O6
0.68012149 0.11555412 0.31250664 # 28 O7
0.92979900 0.11608537 0.66155551 # 29 O8
0.35549450 0.64020906 0.28914125 # 30 O9
0.41612734 0.58527632 0.35222007 # 31 B
0.08042518 0.11292431 0.43379519 # 32 H1
0.33070273 0.11273843 0.54086803 # 33 H2
0.58092499 0.11269431 0.43307397 # 34 H3
0.83065782 0.11315611 0.54079220 # 35 H4
0.80920929 0.63521182 0.79227417 # 36 H5
0.40208913 0.66681723 0.42241628 # 37 H6
0.20698992 0.59897066 0.20736511 # 38 H7