iterations/neb0_image05_iter259.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image05

@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 {} {0.471029119146 0.259798263828 0.489623046001} O1 1 1
14 {} {0.324668867054 0.230988125113 0.558471142332} Si1 2 1
14 {} {0.608877005458 0.346146634632 0.471710662155} Si2 3 1
8 {} {0.587337224507 0.50249167464 0.517901007385} O2 4 1
8 {} {0.260003747108 0.365629291125 0.623795376281} O3 5 1
14 {} {0.236029032689 0.524992114492 0.658172499673} Si3 6 1
14 {} {0.575648273107 0.654757478494 0.456100860465} Si4 7 1
1 {} {0.339911312836 0.130376178011 0.668101832275} H1 8 1
1 {} {0.237098513409 0.181663513667 0.448608560282} H2 9 1
1 {} {0.647681935787 0.340994751245 0.328350467477} H3 10 1
1 {} {0.714576835719 0.288623358715 0.557760273579} H4 11 1
1 {} {0.135505244175 0.534347580601 0.766473329272} H5 12 1
1 {} {0.364987114008 0.588125328178 0.699393774273} H6 13 1
1 {} {0.518856709655 0.749176683657 0.557320927327} H7 14 1
1 {} {0.482262054679 0.651763871812 0.339977661895} H8 15 1
1 {} {0.708974044516 0.706956024712 0.415080062109} H10 16 1
8 {} {0.17159804759 0.602062035691 0.527099006014} O 17 1
1 {} {0.225040960421 0.613625186442 0.447117702804} 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