iterations/neb0_image09_iter36.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image09

@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 {} {0.471940039086 0.213680989218 0.494413320868} O1 1 1
14 {} {0.335807828551 0.217098000486 0.587062159081} Si1 2 1
14 {} {0.602604612604 0.298597303199 0.44487828529} Si2 3 1
8 {} {0.558533162268 0.451265724702 0.401829869816} O2 4 1
8 {} {0.329284693945 0.355186952786 0.673954997342} O3 5 1
14 {} {0.296065513204 0.516671559228 0.66898380274} Si3 6 1
14 {} {0.507169458435 0.598940839325 0.450494100562} Si4 7 1
1 {} {0.34174398349 0.104535540068 0.683104090804} H1 8 1
1 {} {0.218050577071 0.208302881038 0.496641068924} H2 9 1
1 {} {0.658430651994 0.229979520681 0.326037100822} H3 10 1
1 {} {0.702580264771 0.307977446685 0.554781264309} H4 11 1
1 {} {0.149353718405 0.53623582543 0.659545509084} H5 12 1
1 {} {0.347619494157 0.574722007383 0.795426052787} H6 13 1
1 {} {0.323283820676 0.879255017011 0.412581185752} H7 14 1
1 {} {0.482367373151 0.675228070047 0.325422474273} H8 15 1
1 {} {0.610454563901 0.665623691264 0.536341934419} H10 16 1
8 {} {0.367747268259 0.585613506639 0.537544369551} O 17 1
1 {} {0.307049141318 0.853603068733 0.482016408692} 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 0
15 6 0 0
16 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 16 6 {0 0 0} 0
7 4 1 {0 0 0} 0
8 3 2 {0 0 0} 0
9 5 11 {0 0 0} 0
10 7 1 {0 0 0} 0
11 8 1 {0 0 0} 0
12 6 3 {0 0 0} 0
13 5 4 {0 0 0} 0
14 10 2 {0 0 0} 0
15 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