iterations/neb0_image08_iter236.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image08

@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 {} {0.472317952961 0.224842744754 0.49331178565} O1 1 1
14 {} {0.331182856021 0.21895367518 0.57691239945} Si1 2 1
14 {} {0.613628663859 0.29713511165 0.451611159116} Si2 3 1
8 {} {0.591649751221 0.456390888567 0.419185435193} O2 4 1
8 {} {0.313679241774 0.349519559355 0.675457034859} O3 5 1
14 {} {0.300552895936 0.513461002449 0.668011099675} Si3 6 1
14 {} {0.511517191143 0.596448573152 0.447440724038} Si4 7 1
1 {} {0.331982459185 0.0976560485784 0.662183241973} H1 8 1
1 {} {0.219750731529 0.214718542013 0.478333381954} H2 9 1
1 {} {0.662997556804 0.230263736769 0.328806813484} H3 10 1
1 {} {0.710196075179 0.283624567437 0.564191199461} H4 11 1
1 {} {0.157444360357 0.552508843557 0.659275860591} H5 12 1
1 {} {0.365626835478 0.568277732035 0.790089790162} H6 13 1
1 {} {0.311565869331 0.910246780182 0.473389193309} H7 14 1
1 {} {0.472567256421 0.653647545434 0.317176201017} H8 15 1
1 {} {0.598811542705 0.68631850993 0.526558252196} H10 16 1
8 {} {0.373541595425 0.571060531052 0.532718513142} O 17 1
1 {} {0.271073421105 0.847443483742 0.466405636035} 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