./iterations/neb0_image07_iter13.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 {} {0.469505374026 0.224179668848 0.486899886929} O1 1 1
14 {} {0.332835969048 0.225546337753 0.576591382074} Si1 2 1
14 {} {0.603838721239 0.307294467936 0.440534585403} Si2 3 1
8 {} {0.559687396856 0.458555674258 0.388365238642} O2 4 1
8 {} {0.330169931896 0.360531615521 0.673233640139} O3 5 1
14 {} {0.288452323938 0.519379672468 0.683302168558} Si3 6 1
14 {} {0.499353862096 0.608852328611 0.438940325322} Si4 7 1
1 {} {0.334363273524 0.110481437465 0.669489245193} H1 8 1
1 {} {0.21584271563 0.225850697305 0.484169682869} H2 9 1
1 {} {0.664682174196 0.234006335002 0.326542453344} H3 10 1
1 {} {0.697942428285 0.321446836303 0.555515236479} H4 11 1
1 {} {0.13320227885 0.517719470295 0.693429020738} H5 12 1
1 {} {0.343955336855 0.558768137997 0.822167554858} H6 13 1
1 {} {0.335808832935 0.819977659995 0.421176609093} H7 14 1
1 {} {0.52573782838 0.685762043532 0.30044820604} H8 15 1
1 {} {0.59652458962 0.675927024375 0.530405351921} H10 16 1
8 {} {0.353611438119 0.608016729471 0.552621259266} O 17 1
1 {} {0.324571667507 0.810221820552 0.487226158368} 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