iterations/neb0_image02_iter91.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 {} {0.467946238708 0.23746943627 0.478155106512} O1 1 1
14 {} {0.329503926333 0.243244747701 0.566296808939} Si1 2 1
14 {} {0.594240515361 0.331947194509 0.431710325856} Si2 3 1
8 {} {0.540207775033 0.475626258583 0.374747896201} O2 4 1
8 {} {0.330914036476 0.374829209858 0.664715532124} O3 5 1
14 {} {0.264949523207 0.51662900877 0.715082057854} Si3 6 1
14 {} {0.531775291476 0.640023153025 0.378247659372} Si4 7 1
1 {} {0.324694989933 0.120840084418 0.651056955671} H1 8 1
1 {} {0.213489925862 0.249214764526 0.472690368393} H2 9 1
1 {} {0.664726006131 0.260848314701 0.322283850157} H3 10 1
1 {} {0.68324700932 0.354279527961 0.548915945628} H4 11 1
1 {} {0.119510539181 0.495921698704 0.737365263264} H5 12 1
1 {} {0.338062099497 0.55878566409 0.837609335968} H6 13 1
1 {} {0.390926149594 0.682517448623 0.355170522268} H7 14 1
1 {} {0.61895965819 0.696919333986 0.271562455996} H8 15 1
1 {} {0.577632234454 0.691067972673 0.511518122461} H10 16 1
8 {} {0.279421267868 0.634009288796 0.599457433934} O 17 1
1 {} {0.339878921801 0.708344869264 0.614472357702} 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