H* + NH2-Si on surface slat V5 1.0 7.66310000 0.00000000 0.00000000 0.00000000 25.32620000 0.00000000 0.00000000 0.00000000 10.83726000 Si O Cl H N 40 14 4 15 1 Selective dynamics Direct 0.01830690 0.46083129 0.07408164 T T T # 1 Si1 0.01208788 0.54030691 0.42963998 T T T # 2 Si2 0.27524145 0.46020889 0.18625977 T T T # 3 Si3 0.25993884 0.53681348 0.30567434 T T T # 4 Si4 0.00000000 0.23711251 0.43249270 F F F # 5 Si5 0.25000000 0.23711251 0.31750730 F F F # 6 Si6 0.00000000 0.31002987 0.06310984 F F F # 7 Si7 0.25000000 0.31002987 0.18689016 F F F # 8 Si8 0.00000000 0.38653400 0.43672229 F F F # 9 Si9 0.25000000 0.38653400 0.31327771 F F F # 10 Si10 0.00482319 0.46461705 0.55879704 T T T # 11 Si11 0.01360014 0.54002374 0.95763275 T T T # 12 Si12 0.25115614 0.46693890 0.69232746 T T T # 13 Si13 0.23829703 0.54812551 0.81339450 T T T # 14 Si14 0.25000000 0.23711251 0.81750730 F F F # 15 Si15 0.00000000 0.31002987 0.56310984 F F F # 16 Si16 0.25000000 0.31002987 0.68689016 F F F # 17 Si17 0.00000000 0.38653400 0.93672229 F F F # 18 Si18 0.25000000 0.38653400 0.81327771 F F F # 19 Si19 0.51649563 0.46704035 0.04941474 T T T # 20 Si20 0.50764742 0.54060427 0.43259716 T T T # 21 Si21 0.75439369 0.46207165 0.19169269 T T T # 22 Si22 0.75827781 0.53951008 0.30880320 T T T # 23 Si23 0.50000000 0.23711251 0.43249270 F F F # 24 Si24 0.75000000 0.23711251 0.31750730 F F F # 25 Si25 0.50000000 0.31002987 0.06310984 F F F # 26 Si26 0.75000000 0.31002987 0.18689016 F F F # 27 Si27 0.50000000 0.38653400 0.43672229 F F F # 28 Si28 0.75000000 0.38653400 0.31327771 F F F # 29 Si29 0.50232273 0.46462133 0.56379753 T T T # 30 Si30 0.48594450 0.55224796 0.94113139 T T T # 31 Si31 0.75694030 0.46616854 0.68559435 T T T # 32 Si32 0.75340360 0.53479545 0.84336769 T T T # 33 Si33 0.50000000 0.23711251 0.93249270 F F F # 34 Si34 0.75000000 0.23711251 0.81750730 F F F # 35 Si35 0.75000000 0.31002987 0.68689016 F F F # 36 Si36 0.50000000 0.38653400 0.93672229 F F F # 37 Si37 0.75000000 0.38653400 0.81327771 F F F # 38 Si38 0.07762034 0.65525049 0.80071458 T T T # 39 Si39 0.48394554 0.66285029 0.48425638 T T T # 40 Si40 0.18622716 0.60268254 0.72707267 T T T # 41 O1 0.50550068 0.60061853 0.50726159 T T T # 42 O2 0.03226106 0.59782860 0.50726975 T T T # 43 O3 0.26392369 0.59471530 0.22110614 T T T # 44 O7 0.02283631 0.59146148 0.05872734 T T T # 45 O12 0.75983150 0.59161227 0.20959502 T T T # 46 O18 0.50054382 0.60407337 0.03908758 T T T # 47 O25 0.70608670 0.47469422 0.93128155 T T T # 48 O33 0.98424334 0.18344570 0.52994906 T T T # 49 O9 0.24510103 0.18299588 0.22101075 T T T # 50 O19 0.17953656 0.17708439 0.79155281 T T T # 51 O30 0.77718171 0.18226454 0.22973833 T T T # 52 O42 0.50999431 0.18450339 0.02985416 T T T # 53 O55 0.81791397 0.18064292 0.75353708 T T T # 54 O69 0.64468770 0.69538500 0.35592817 T T T # 55 Cl4 0.79291417 0.62089704 0.74958543 T T T # 56 Cl2 0.49372658 0.70808532 0.63620153 T T T # 57 Cl3 0.04890492 0.71318232 0.65164257 T T T # 58 Cl5 0.07926014 0.59546908 0.59339477 T T T # 59 H11 0.16445851 0.59555417 0.15670668 T T T # 60 H19 0.91581769 0.59423142 0.11376308 T T T # 61 H28 0.65923911 0.59630788 0.15127172 T T T # 62 H38 0.40620506 0.60500028 0.10280571 T T T # 63 H49 0.80993654 0.45175013 0.94634830 T T T # 64 H61 0.16946627 0.64723684 0.46088717 T T T # 65 H9 0.26912378 0.65217105 0.32518512 T T T # 66 H21 0.99536206 0.14903580 0.49067949 T T T # 67 H12 0.12721631 0.17313799 0.19494424 T T T # 68 H24 0.05322771 0.17226508 0.77559308 T T T # 69 H37 0.69429038 0.17837594 0.16039701 T T T # 70 H51 0.40954861 0.18077474 0.08687050 T T T # 71 H66 0.85480633 0.18254572 0.66496892 T T T # 72 H82 0.27778316 0.76926367 0.40839069 F F F # 73 H15 0.26696260 0.66963010 0.41345073 T T T # 74 N1