./iterations/neb0_image06_iter49.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status: finished#MD System 2.0 @Title neb0_image06 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 WyckoffPosition int -1 @end @data 8 {} {0.470070869696 0.221768641655 0.482374614527} O1 1 1 14 {} {0.331702037866 0.228012030494 0.570908672333} Si1 2 1 14 {} {0.594136216656 0.320488683975 0.442176534142} Si2 3 1 8 {} {0.537732414107 0.468449338257 0.404888894783} O2 4 1 8 {} {0.333389414562 0.359268755705 0.668647075012} O3 5 1 14 {} {0.294270568901 0.517738505503 0.684344388219} Si3 6 1 14 {} {0.498695950943 0.619607525905 0.451517806864} Si4 7 1 1 {} {0.329615175242 0.112046999552 0.661592368191} H1 8 1 1 {} {0.214179299605 0.233995493863 0.479948133979} H2 9 1 1 {} {0.659348121088 0.258051852444 0.325125744419} H3 10 1 1 {} {0.691298523108 0.334120648295 0.553764188394} H4 11 1 1 {} {0.144648714156 0.53561202838 0.684155510541} H5 12 1 1 {} {0.347039455188 0.570354438713 0.814024822214} H6 13 1 1 {} {0.364567382516 0.786906919591 0.42421496397} H7 14 1 1 {} {0.50635157044 0.683185228076 0.31300463246} H8 15 1 1 {} {0.597878107216 0.687642805395 0.537516358352} H10 16 1 8 {} {0.365901666367 0.593503200732 0.555661060783} O 17 1 1 {} {0.32926063586 0.741764858309 0.477192212705} H14 18 1 @end @Columns Cell Constraints string {a b c A B G} Origin int {{0 0 0}} Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}} PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} SpaceGroup string P1 SpaceGroupNumber int 1 ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}} ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}} @end @data {a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 1 0 0 0 2 0 0 0 14 6 0 0 16 5 0 2 15 6 0 0 4 1 0 0 3 2 0 0 7 1 0 0 8 1 0 0 6 3 0 0 5 4 0 0 10 2 0 0 9 2 0 0 @end @Columns Bond AsymmetricBond reference AsymmetricBond Atom1 reference Atom Atom2 reference Atom CellOffset2 int {{0 0 0}} Key int 0 @end @data 0 0 1 {0 0 0} 0 1 0 2 {0 0 0} 0 2 14 6 {0 0 0} 0 3 16 5 {0 0 0} 0 4 15 6 {0 0 0} 0 5 4 1 {0 0 0} 0 6 3 2 {0 0 0} 0 7 7 1 {0 0 0} 0 8 8 1 {0 0 0} 0 9 6 3 {0 0 0} 0 10 5 4 {0 0 0} 0 11 10 2 {0 0 0} 0 12 9 2 {0 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end