./iterations/neb0_image05_iter264.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.470015844472 0.263898817151 0.490099882386} O1 1 1
14 {} {0.323936354956 0.23296224793 0.557996472223} Si1 2 1
14 {} {0.61081925748 0.346039879238 0.473290528408} Si2 3 1
8 {} {0.596500715876 0.50289046338 0.522798666424} O2 4 1
8 {} {0.253626231957 0.366294306254 0.621362248696} O3 5 1
14 {} {0.234640428643 0.525659255564 0.656020713686} Si3 6 1
14 {} {0.577756716358 0.655494673098 0.459608951531} Si4 7 1
1 {} {0.341284899507 0.134987259043 0.668792097313} H1 8 1
1 {} {0.240399840504 0.179669239363 0.446483031009} H2 9 1
1 {} {0.647310372023 0.343713235262 0.329078215909} H3 10 1
1 {} {0.716256611805 0.283644305807 0.558014588048} H4 11 1
1 {} {0.135182157525 0.538056417007 0.763393723154} H5 12 1
1 {} {0.365515581535 0.583739111021 0.700619536107} H6 13 1
1 {} {0.529550530572 0.750756590485 0.563179435947} H7 14 1
1 {} {0.47656739505 0.650466829291 0.349093583236} H8 15 1
1 {} {0.708510981882 0.705634193546 0.406250524566} H10 16 1
8 {} {0.168636711739 0.601500297688 0.525452426278} O 17 1
1 {} {0.213575420592 0.607110996693 0.439523571443} 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