./iterations/neb0_image02_iter286.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image02

@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 {} {0.454422369669 0.26851221072 0.484186653374} O1 1 1
14 {} {0.324904855717 0.24140811423 0.581323122594} Si1 2 1
14 {} {0.584549804075 0.348830334407 0.427911167301} Si2 3 1
8 {} {0.538907495382 0.493797703262 0.365535716864} O2 4 1
8 {} {0.311316975422 0.359435518873 0.695737598069} O3 5 1
14 {} {0.24029307176 0.502718647195 0.733935257459} Si3 6 1
14 {} {0.5654103915 0.655955059018 0.357309684584} Si4 7 1
1 {} {0.347520450279 0.111759937613 0.650882437084} H1 8 1
1 {} {0.20337790381 0.238193644878 0.49541684694} H2 9 1
1 {} {0.643799605684 0.267850101946 0.318632929432} H3 10 1
1 {} {0.681488995785 0.37240831304 0.538825755486} H4 11 1
1 {} {0.0945435627193 0.483134021702 0.755558709737} H5 12 1
1 {} {0.311105179848 0.552314969994 0.854815372246} H6 13 1
1 {} {0.437553979881 0.719869275008 0.316478502223} H7 14 1
1 {} {0.672348680823 0.687022115739 0.257852544599} H8 15 1
1 {} {0.60474420234 0.707719106672 0.491970959475} H10 16 1
8 {} {0.252587168887 0.613025188886 0.61040702561} O 17 1
1 {} {0.341211783368 0.648563996992 0.594277360609} 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
12 5 0 0
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
11 5 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 12 5 {0 0 0} 0
1 0 1 {0 0 0} 0
2 0 2 {0 0 0} 0
3 14 6 {0 0 0} 0
4 16 5 {0 0 0} 0
5 15 6 {0 0 0} 0
6 4 1 {0 0 0} 0
7 3 2 {0 0 0} 0
8 5 11 {0 0 0} 0
9 7 1 {0 0 0} 0
10 8 1 {0 0 0} 0
11 6 3 {0 0 0} 0
12 5 4 {0 0 0} 0
13 10 2 {0 0 0} 0
14 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