iterations/neb0_image02_iter196.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 {} {0.462757062738 0.255686359419 0.490848216068} O1 1 1
14 {} {0.328119037126 0.23968938285 0.583020557579} Si1 2 1
14 {} {0.584996230758 0.345556038131 0.429587241609} Si2 3 1
8 {} {0.529055556371 0.487469221098 0.369060906296} O2 4 1
8 {} {0.317180652441 0.360361321685 0.693784861835} O3 5 1
14 {} {0.249566724 0.506632401403 0.727287600177} Si3 6 1
14 {} {0.553814376871 0.65009079561 0.360807398989} Si4 7 1
1 {} {0.339257292792 0.110823453867 0.655832043171} H1 8 1
1 {} {0.209308205192 0.241465614495 0.493725888953} H2 9 1
1 {} {0.645168965664 0.267120142354 0.318788128413} H3 10 1
1 {} {0.683917179919 0.374551188864 0.537581901768} H4 11 1
1 {} {0.102986060216 0.490511184123 0.742936920756} H5 12 1
1 {} {0.316301692627 0.555308848247 0.851160002138} H6 13 1
1 {} {0.427457613498 0.715188466896 0.317028393522} H7 14 1
1 {} {0.662565825973 0.681149359082 0.263355655576} H8 15 1
1 {} {0.591140599668 0.703033665466 0.495865050068} H10 16 1
8 {} {0.266255713928 0.612910884076 0.602244620553} O 17 1
1 {} {0.340237344899 0.674969629557 0.598142725114} 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