./iterations/neb0_image07_iter113.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status: finished#MD System 2.0 @Title neb0_image07 @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 {} {0.470278533834 0.224469344693 0.491089166907} O1 1 1 14 {} {0.330770984892 0.222259127069 0.578349596923} Si1 2 1 14 {} {0.601947115046 0.31158832956 0.446663130476} Si2 3 1 8 {} {0.564475871368 0.464786009166 0.406237933032} O2 4 1 8 {} {0.323790480481 0.352790041995 0.678397900085} O3 5 1 14 {} {0.29814299376 0.515047469051 0.673882399738} Si3 6 1 14 {} {0.503767989063 0.610108178194 0.451036631608} Si4 7 1 1 {} {0.32785855115 0.0995852945997 0.662224777401} H1 8 1 1 {} {0.215148276178 0.227651205683 0.484733572898} H2 9 1 1 {} {0.657582811804 0.249490337771 0.324751282652} H3 10 1 1 {} {0.69809842089 0.317415331799 0.559729678026} H4 11 1 1 {} {0.152293114644 0.541888236879 0.665167843172} H5 12 1 1 {} {0.356641702938 0.572308455299 0.797969931441} H6 13 1 1 {} {0.349364360869 0.829351559967 0.433265419712} H7 14 1 1 {} {0.480084228354 0.67992949027 0.322333443322} H8 15 1 1 {} {0.600086363519 0.688255376595 0.533550167814} H10 16 1 8 {} {0.369010798678 0.580115862031 0.541438364756} O 17 1 1 {} {0.310743526935 0.785478276522 0.480236703134} 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